Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Heptane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.52 |
| ▸ | GPR84 | Q9NQS5 | 12/20 | 0.56 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.56 |
| ▸ | PPARG | P37231 | 7/20 | 0.52 |
| ▸ | PPARD | Q03181 | 7/20 | 0.52 |
| ▸ | PPARA | Q07869 | 7/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TLR2 | O60603 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | FABP4 | P15090 | 2/20 | 0.52 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.52 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | PDE4A | P27815 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.52 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hexane SCHEMBL607219 | 0.97 | GPR84 (0.52) | GPR84FFAR1PPARGPPARDPPARA | |
| Hexane SCHEMBL15796762 | 0.94 | GPR84 (0.50) | GPR84FFAR1PPARGPPARDPPARA | |
| Pentane SCHEMBL18429443 | 0.92 | GPR84 (0.46) | GPR84FFAR1PPARGPPARDPPARA | |
| Hexane SCHEMBL2313913 | 0.90 | GPR84 (0.46) | GPR84FFAR1PPARGPPARDPPARA | |
| Heptane SCHEMBL11799167 | 0.90 | GPR84 (0.52) | GPR84FFAR1PPARGPPARDPPARA | |
| Hexane SCHEMBL5058979 | 0.88 | GPR84 (0.48) | GPR84FFAR1 | |
| Nonane SCHEMBL23929397 | 0.88 | GPR84 (0.63) | GPR84FFAR1PPARGPPARDPPARA | |
| Nonane SCHEMBL3968062 | 0.88 | GPR84 (0.63) | GPR84FFAR1PPARGPPARDPPARA | |
| Decane SCHEMBL14718768 | 0.88 | GPR84 (0.63) | GPR84FFAR1PPARGPPARDPPARA | |
| Undecane SCHEMBL14719515 | 0.88 | GPR84 (0.63) | GPR84FFAR1PPARGPPARDPPARA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11884624-B2 | Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions | CAYMAN CHEMICAL COMPANY, INC. (US) | 2024-01-30 | — | — | US | disclosed |
| US-20230050318-A1 | DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS | CAYMAN CHEMICAL COMPANY, INC. | 2023-02-16 | — | — | US | disclosed |
| US-11345690-B2 | Methods of synthesizing a difluorolactam analog | CAYMAN CHEMICAL COMPANY, INC. (US) | 2022-05-31 | — | — | US | disclosed |
| US-20220127252-A9 | METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG | CAYMAN CHEMICAL CO INC (US) | 2022-04-28 | — | — | US | disclosed |
| EP-3116854-B1 | NEW PROCESS FOR THE PREPARATION OF HIGH PURITY PROSTAGLANDINS | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA ZRT (HU) | 2022-01-26 | — | — | EP | disclosed |
| US-11066361-B2 | Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions | CAYMAN CHEMICAL COMPANY, INC. (US) | 2021-07-20 | — | — | US | disclosed |
| CN-107802623-B | Difluorolactam compositions for EP 4-mediated bone-related diseases and disorders | 开曼化学股份有限公司 | 2020-10-30 | — | — | CN | disclosed |
| US-10729810-B2 | Methods, systems, and compositions for promoting bone growth | CAYMAN CHEMICAL COMPANY, INC (US) | 2020-08-04 | — | — | US | disclosed |
| CN-106748951-B | Difluorolactam compounds as EP4 receptor selective agonists for use in the treatment of EP4 mediated diseases and conditions | 开曼化学股份有限公司 | 2020-07-24 | — | — | CN | disclosed |
| US-20200207709-A1 | DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS | CAYMAN CHEMICAL COMPANY, INC. | 2020-07-02 | — | — | US | disclosed |
| US-7259266-B2 | Benzopyran compounds useful for treating inflammatory conditions | PHARMACIA CORPORATION (US) | 2007-08-21 | — | — | US | disclosed |
| EP-1773802-A1 | ENANTIOSELECTIVE METHOD FOR SEPARING SUBSTITUTED 2-TRIFLUOROMETHYL-2H-CHROMENE-3-CARBOXYLIC ACID DERIVATIVES | Pharmacia & Upjohn Company LLC (US) | 2007-04-18 | — | — | EP | disclosed |
| EP-1631562-A1 | CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS | Pharmacia Corporation (US) | 2006-03-08 | — | — | EP | disclosed |
| WO-2006011047-A1 | ENANTIOSELECTIVE METHOD FOR SEPARING SUBSTITUTED 2-TRIFLUOROMETHYL-2H-CHROMENE-3-CARBOXYLIC ACID DERIVATIVES | PHARMACIA & UPJOHN COMPANY LLC (US) | 2006-02-02 | — | — | WO | disclosed |
| US-20060020022-A1 | Enantioselective separation method | PHARMACIA & UPJOHN COMPANY LLC | 2006-01-26 | — | — | US | disclosed |
| EP-1615905-A2 | BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS | Pharmacia Corporation (US) | 2006-01-18 | — | — | EP | disclosed |
| US-20050148627-A1 | Benzopyran compounds for use in the treatment and prevention of inflammation related conditions | CARTER JEFFERY (US) | 2005-07-07 | — | — | US | disclosed |
| US-20050148777-A1 | Benzopyran compounds useful for treating inflammatory conditions | CARTER JEFFERY (US) | 2005-07-07 | — | — | US | disclosed |
| WO-2004087687-A1 | CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS | PHARMACIA CORPORATION (US) | 2004-10-14 | — | — | WO | disclosed |
| WO-2004087686-A2 | BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS | PHARMACIA CORPORATION (US) | 2004-10-14 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050148777-A1 | Benzopyran compounds useful for treating inflammatory conditions | PTGES2, PTGER2, PTGS2 | ESR1 698/4885GPR84 851/4885FFAR1 402/4885 |
| US-20230050318-A1 | DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS | PTGER4, PTGER1, PTGER3 | ESR1 151/4885GPR84 20/4885FFAR1 75/4885 |
| US-11066361-B2 | Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions | PTGER4, PTGER1, PTGER3 | ESR1 151/4885GPR84 20/4885FFAR1 75/4885 |
| US-11884624-B2 | Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions | PTGER4, PTGER1, PTGER3 | ESR1 151/4885GPR84 20/4885FFAR1 75/4885 |
| US-11345690-B2 | Methods of synthesizing a difluorolactam analog | PTGER4, PTGER1, PTGIR | ESR1 65/4885GPR84 21/4885FFAR1 60/4885 |
| US-20220127252-A9 | METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG | PTGER4, PTGER1, PTGIR | ESR1 65/4885GPR84 21/4885FFAR1 60/4885 |
| US-20060020022-A1 | Enantioselective separation method | SLC7A1, SLC10A1, DHCR7 | ESR1 2044/4885GPR84 2190/4885FFAR1 76/4885 |
| US-20050148627-A1 | Benzopyran compounds for use in the treatment and prevention of inflammation related conditions | PTGES2, PTGER2, PTGES | ESR1 266/4885GPR84 837/4885FFAR1 526/4885 |
| US-20200207709-A1 | DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS | PTGER4, PTGER1, PTGER3 | ESR1 151/4885GPR84 20/4885FFAR1 75/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.