Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.44 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.44 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.41 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 SCHEMBL1147860 | 0.97 | SMN1; SMN2 (0.50) | LMNATSHRALDH1A1MEN1KMT2A | |
| Hexane SCHEMBL22319987 | 0.94 | SMN1; SMN2 (0.47) | LMNATSHRALDH1A1MEN1KMT2A | |
| SCHEMBL28338950 | 0.90 | TSHR (0.61) | LMNATSHRALDH1A1MEN1KMT2A | |
| SCHEMBL28521976 | 0.90 | TSHR (0.61) | LMNATSHRALDH1A1MEN1KMT2A | |
| Heptane SCHEMBL3084197 | 0.90 | TSHR (0.61) | LMNATSHRALDH1A1MEN1KMT2A | |
| Decane SCHEMBL28273535 | 0.90 | TSHR (0.61) | LMNATSHRALDH1A1MEN1KMT2A | |
| Octane SCHEMBL639987 | 0.90 | TSHR (0.61) | LMNATSHRALDH1A1MEN1KMT2A | |
| Tetradecane SCHEMBL28338948 | 0.90 | TSHR (0.61) | LMNATSHRALDH1A1MEN1KMT2A | |
| Hexadecane SCHEMBL27942491 | 0.90 | TSHR (0.61) | LMNATSHRALDH1A1MEN1KMT2A | |
| Heptane SCHEMBL5761773 | 0.89 | LMNA (0.43) | LMNATSHRALDH1A1MEN1KMT2A |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1817037-B1 | TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | ABBOTT GMBH & CO KG (DE) | 2013-04-03 | — | — | EP | disclosed |
| CN-101228152-B | N- (heteroaryl) -1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation method and application thereof in pharmacy | SANOFI AVENTIS | 2012-12-12 | — | — | CN | disclosed |
| US-20120095015-A1 | TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | ABBVIE DEUTSCHLAND GMBH & CO KG (DE) | 2012-04-19 | — | — | US | disclosed |
| US-8101754-B2 | e.g., 2-tert-Butyl-4-{4-[3-(4-methyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-propyl]-piperazin-1-yl}-6-(1-methylcyclopropyl)-pyrimidine hydrochloride; central nervous system disorders; schizophrenia; antidepressant, anxiolytic agent, cognition activator; Parkinson's and Alzheimer's diseases | ABBOTT GMBH & CO. KG (DE) | 2012-01-24 | — | — | US | disclosed |
| EP-1450750-B1 | USE OF 2-AMINO-4-PYRIDYLMETHYL-THIAZOLINE DERIVATIVES AS INHIBITORS OF INDUCIBLE NO-SYNTHASE | AVENTIS PHARMA SA (FR) | 2009-10-21 | — | — | EP | disclosed |
| CN-101384263-A | Is suitable for treating dopamine D3Triazole compounds for receptor-mediated diseases | ABBOTT GMBH & CO KG (DE) | 2009-03-11 | — | — | CN | disclosed |
| CN-100415736-C | Quinolylpropylpiperidine derivatives and their use as antimicrobial agents | AVENTIS PHARMA SA (FR) | 2008-09-03 | — | — | CN | disclosed |
| CN-101228152-A | N- (heteroaryl) -1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation method and application thereof in pharmacy | SANOFI AVENTIS (FR) | 2008-07-23 | — | — | CN | disclosed |
| US-20080171751-A1 | Triazole Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor | ABBVIE DEUTSCHLAND GMBH & CO KG (DE) | 2008-07-17 | — | — | US | disclosed |
| EP-1817037-A1 | TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULAIONT OF THE DOPAMINE D3 RECEPTOR | Abbott GmbH & Co. KG (DE) | 2007-08-15 | — | — | EP | disclosed |
| US-6602884-B2 | Useful as antibiotics against Staphylococcus, Streptococcus, Enterococcus and Moraxella | AVENTIS PHARMA S.A. (FR) | 2003-08-05 | — | — | US | disclosed |
| WO-2003039446-A2 | USE OF 2-AMINO-4-PYRIDYLMETHYL-THIAZOLINE DERIVATIVES AS INHIBITORS OF INDUCIBLE NO-SYNTHASE | AVENTIS PHARMA S.A. (FR) | 2003-05-15 | — | — | WO | disclosed |
| EP-1299365-A1 | 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS | Aventis Pharma S.A. (FR) | 2003-04-09 | — | — | EP | disclosed |
| US-20020177606-A1 | Quinolylpropylpiperidine derivatives, their preparation, and compositions containing them | NOVEXEL (FR) | 2002-11-28 | — | — | US | disclosed |
| WO-2002072572-A1 | QUINOLYL PROPYL PIPERIDINE DERIVATIVES, THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME | AVENTIS PHARMA S.A. (FR) | 2002-09-19 | — | — | WO | disclosed |
| EP-0948483-B1 | FARNESYL TRANSFERASE INHIBITORS | AVENTIS PHARMA SA (FR) | 2002-03-13 | — | — | EP | disclosed |
| WO-2001094325-A1 | 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS | AVENTIS PHARMA S.A. (FR) | 2001-12-13 | — | — | WO | disclosed |
| CN-1242000-A | Farnesyl transferase inhibitors | RHONE POULENC RORER SA (FR) | 2000-01-19 | — | — | CN | disclosed |
| EP-0948483-A1 | FARNESYL TRANSFERASE INHIBITORS | Aventis Pharma S.A. (FR) | 1999-10-13 | — | — | EP | disclosed |
| WO-1998029390-A1 | FARNESYL TRANSFERASE INHIBITORS | RHONE-POULENC RORER S.A. (FR) | 1998-07-09 | — | — | 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 (3 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-20020177606-A1 | Quinolylpropylpiperidine derivatives, their preparation, and compositions containing them | QDPR, MRPL21, RPLP2 | LMNA 3014/4885TSHR 4643/4885ALDH1A1 1808/4885 |
| US-20120095015-A1 | TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | ADRB3, DRD3, ADORA3 | LMNA 4495/4885TSHR 39/4885ALDH1A1 511/4885 |
| US-20080171751-A1 | Triazole Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor | ADRB3, DRD3, ADORA3 | LMNA 4521/4885TSHR 35/4885ALDH1A1 606/4885 |
“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.