Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL15769581 | 1.00 | CRBN (0.33) | CRBNGRIA2ALDH1A1 | |
| Acetic Acid SCHEMBL15769363 | 1.00 | CRBN (0.33) | CRBNGRIA2ALDH1A1 | |
| SCHEMBL10261945 | 0.89 | — | — | |
| SCHEMBL10261526 | 0.89 | — | — | |
| SCHEMBL1360201 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL22999867 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL9951227 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL4510205 | 0.87 | — | — | |
| Trifluoroacetic Acid SCHEMBL29192027 | 0.85 | KDM1A (0.39) | — | |
| Acetic Acid SCHEMBL28383924 | 0.80 | EGLN1 (0.42) | GRIA2ALDH1A1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9067949-B2 | Benzofuro[3,2-c] pyridines and related analogs as serotonin sub-type 6 (5-HT6) modulators for the treatment of obesity, metabolic syndrome, cognition and schizophrenia | ALBANY MOLECULAR RESEARCH, INC. (US) | 2015-06-30 | — | — | US | disclosed |
| US-8697700-B2 | Piperazinone-substituted tetrahydro-carboline MCH-1 antagonists, methods of making, and uses thereof | ALBANY MOLECULAR RESEARCH, INC. (US) | 2014-04-15 | — | — | US | disclosed |
| EP-2668191-A2 | BENZOFURO[3,2-C]PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA | Albany Molecular Research, Inc. (US) | 2013-12-04 | — | — | EP | disclosed |
| WO-2012099952-A2 | BENZOFURO[3,2-C] PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-07-26 | — | — | WO | disclosed |
| US-20120184531-A1 | BENZOFURO[3,2-c] PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-07-19 | — | — | US | disclosed |
| WO-2012088038-A2 | PIPERAZINONE-SUBSTITUTED TETRAHYDRO-CARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-06-28 | — | — | WO | disclosed |
| EP-1626958-B1 | (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT 1F AGONISTS | LILLY CO ELI (US) | 2012-06-27 | — | — | EP | disclosed |
| US-20120157469-A1 | PIPERAZINONE-SUBSTITUTED TETRAHYDRO-CARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-06-21 | — | — | US | disclosed |
| US-20120022056-A1 | FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS | BENTLEY JONATHAN (IT) | 2012-01-26 | — | — | US | disclosed |
| CN-101048414-B | Fused tricyclic derivatives for the treatment of psychotic disorders | GLAXO GROUP LTD | 2011-09-07 | — | — | CN | disclosed |
| US-7608629-B2 | (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-HT1F agonists | ELI LILLY AND COMPANY (US) | 2009-10-27 | — | — | US | disclosed |
| CN-101048414-A | Fused tricyclic derivatives for the treatment of psychotic disorders | GLAXO GROUP LTD (GB) | 2007-10-03 | — | — | CN | disclosed |
| EP-1786822-A1 | FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS | GLAXO GROUP LIMITED (GB) | 2007-05-23 | — | — | EP | disclosed |
| US-20060211734-A1 | (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-ht1f agonists | ELILILLY AND COMPANY (US) | 2006-09-21 | — | — | US | disclosed |
| CN-1777584-A | As 5-HT1F(Piperidyloxy) phenyl, (peridyloxy) pyridyl, (peridylthio) phenyl and (peridylthio) pyridyl compounds of agonists | LILLY CO ELI (US) | 2006-05-24 | — | — | CN | disclosed |
| WO-2006024517-A1 | FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS | GLAXO GROUP LIMITED (GB) | 2006-03-09 | — | — | WO | disclosed |
| EP-1626958-A1 | (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT 1F AGONISTS | ELI LILLY AND COMPANY (US) | 2006-02-22 | — | — | EP | disclosed |
| WO-2004094380-A1 | (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 2004-11-04 | — | — | 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 (4 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-20120022056-A1 | FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS | GABBR1, GABRQ, GABRE | CRBN 3826/4885GRIA2 175/4885ALDH1A1 257/4885 |
| US-20060211734-A1 | (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-ht1f agonists | HTR1A, HTR1F, HTR5A | CRBN 4167/4885GRIA2 783/4885ALDH1A1 1062/4885 |
| US-20120184531-A1 | BENZOFURO[3,2-c] PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA | HTR6, HTR5A, HTR2C | CRBN 4781/4885GRIA2 563/4885ALDH1A1 1684/4885 |
| US-20120157469-A1 | PIPERAZINONE-SUBSTITUTED TETRAHYDRO-CARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF | MCHR1, MCHR2, MC1R | CRBN 1144/4885GRIA2 811/4885ALDH1A1 736/4885 |
“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.