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 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | FAAH | O00519 | 1/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.46 |
| ▸ | PPARG | P37231 | 7/20 | 0.46 |
| ▸ | PPARD | Q03181 | 7/20 | 0.46 |
| ▸ | PPARA | Q07869 | 7/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.46 |
| ▸ | TLR2 | O60603 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | FABP4 | P15090 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.46 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Heptane SCHEMBL7082313 | 0.98 | ALDH1A1 (0.64) | ALDH1A1HSD17B10LMNAFAAHGPR84 | |
| Hexane SCHEMBL213641 | 0.98 | ALDH1A1 (0.70) | ALDH1A1HSD17B10LMNAFAAHGPR84 | |
| Heptane SCHEMBL11904142 | 0.95 | ALDH1A1 (0.74) | ALDH1A1HSD17B10LMNAFAAHTSHR | |
| Heptane SCHEMBL1680974 | 0.95 | ALDH1A1 (0.74) | ALDH1A1HSD17B10LMNAFAAHTSHR | |
| Heptane SCHEMBL2599527 | 0.95 | ALDH1A1 (0.74) | ALDH1A1HSD17B10LMNAFAAHTSHR | |
| Heptane SCHEMBL276236 | 0.95 | ALDH1A1 (0.74) | ALDH1A1HSD17B10LMNAFAAHTSHR | |
| Heptane SCHEMBL1190938 | 0.95 | ALDH1A1 (0.74) | ALDH1A1HSD17B10LMNAFAAHTSHR | |
| Heptane SCHEMBL2399914 | 0.95 | ALDH1A1 (0.74) | ALDH1A1HSD17B10LMNAFAAHTSHR | |
| Heptane SCHEMBL9107982 | 0.95 | ALDH1A1 (0.74) | ALDH1A1HSD17B10LMNAFAAHTSHR | |
| Heptane SCHEMBL15345911 | 0.95 | ALDH1A1 (0.74) | ALDH1A1HSD17B10LMNAFAAHTSHR |
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 125 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 |
| EP-3130583-B1 | KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | CHDI FOUNDATION INC (US) | 2024-01-03 | — | — | EP | 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 |
| 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-4968790-A | HYPOGLYCEMIC AGENTS, PLANT GROWTH REGULATORS | AMERICAN CYANAMID COMPANY (US) | 1990-11-06 | — | — | US | disclosed |
| US-4943629-A | HYPOGLYCEMIC AGENTS; ENZYME STIMULATORS, INHIBITORS | AMERICAN CYANAMID COMPANY (US) | 1990-07-24 | — | — | US | disclosed |
| EP-0354322-A2 | Antidiabetic alpha-substituted phosphonates | AMERICAN CYANAMID COMPANY (US) | 1990-02-14 | — | — | EP | disclosed |
| EP-0065638-B1 | SUBSTITUTED 7-(4-SUBSTITUTED-CYCLOPENT-2-EN-1-ON-2-YL)-HEPT-2-TRANSENOATES | AMERICAN CYANAMID COMPANY (US) | 1989-01-25 | — | — | EP | disclosed |
| US-4644079-A | Precursors and synthesis of d1-(methyl)-16,16-(dimethyl)-11-alpha, 15-alpha, beta-dihydroxy-9-oxo-2,13,-trans, trans-prostadienoates | AMERICAN CYANAMID COMPANY (US) | 1987-02-17 | — | — | US | disclosed |
| US-4474979-A | Synthesis of d1-(methyl)-16,16-(dimethyl-11-alpha, 15-alpha, beta-dihydroxy-9-oxo-2,13,-trans,trans-prostadienoates | AMERICAN CYANAMID COMPANY (US) | 1984-10-02 | — | — | US | disclosed |
| EP-0065638-A1 | Substituted 7-(4-substituted-cyclopent-2-en-1-on-2-yl)-hept-2-transenoates | AMERICAN CYANAMID COMPANY (US) | 1982-12-01 | — | — | EP | disclosed |
| US-4360688-A | Precursors and synthesis of d1-(methyl)-16,16-(dimethyl)-11-alpha, 15-alpha, beta-dihydroxy-9-oxo-2,13,-trans, trans-prostadienoates | AMERICAN CYANAMID COMPANY (US) | 1982-11-23 | — | — | US | disclosed |
| US-4254036-A | 1-Hydroxymethyl-1-oxo-prostane-derivatives of the E, A and F-series | AMERICAN CYANAMID COMPANY (US) | 1981-03-03 | — | — | US | disclosed |
| EP-0015056-A1 | 1-Hydroxymethyl-1-oxo-prostane derivatives of the E, A and F series | AMERICAN CYANAMID COMPANY (US) | 1980-09-03 | — | — | EP | 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 (6 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-20230050318-A1 | DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS | PTGER4, PTGER1, PTGER3 | ESR1 151/4885ALDH1A1 654/4885HSD17B10 4117/4885 |
| 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 151/4885ALDH1A1 654/4885HSD17B10 4117/4885 |
| 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 151/4885ALDH1A1 654/4885HSD17B10 4117/4885 |
| US-11345690-B2 | Methods of synthesizing a difluorolactam analog | PTGER4, PTGER1, PTGIR | ESR1 65/4885ALDH1A1 710/4885HSD17B10 3729/4885 |
| US-20220127252-A9 | METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG | PTGER4, PTGER1, PTGIR | ESR1 65/4885ALDH1A1 710/4885HSD17B10 3729/4885 |
| 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 151/4885ALDH1A1 654/4885HSD17B10 4117/4885 |
“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.