Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.44 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.44 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.44 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.44 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.44 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5561314 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TSHRCYP2D6PSEN1 | |
| SCHEMBL7682726 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TSHRCYP2D6PSEN1 | |
| SCHEMBL5566428 | 0.98 | CYP2D6 (0.48) | ALDH1A1CYP3A4TSHRCYP2D6PSEN1 | |
| SCHEMBL7669420 | 0.95 | CYP2D6 (0.48) | ALDH1A1CYP3A4TSHRCYP2D6PSEN1 | |
| SCHEMBL10700911 | 0.86 | CYP2D6 (0.46) | ALDH1A1CYP3A4TSHRCYP2D6PSEN1 | |
| SCHEMBL7321913 | 0.85 | ALDH1A1 (0.43) | ALDH1A1CYP3A4TSHRCYP2D6PSEN1 | |
| SCHEMBL8531957 | 0.84 | CYP2D6 (0.51) | ALDH1A1CYP3A4CYP2D6POLBCYP2C19 | |
| SCHEMBL28184785 | 0.83 | SMN1; SMN2 (0.55) | ALDH1A1CYP3A4TSHRCYP2D6POLB | |
| SCHEMBL5834394 | 0.83 | KDM1A (0.42) | ALDH1A1CYP3A4CYP2D6PSEN1PSEN2 | |
| Cyclopropane SCHEMBL2101355 | 0.82 | GAA (0.54) | ALDH1A1CYP3A4TSHRCYP2D6GAA |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934307-B1 | SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE | AVENTIS PHARMA LTD (GB) | 2011-04-27 | — | — | EP | disclosed |
| EP-2223920-A2 | Substituted azabicyclic compounds | Aventis Pharma Limited (GB) | 2010-09-01 | — | — | EP | disclosed |
| US-7329675-B2 | Substituted azabicyclic compounds | AVENTIS PHARMA LIMITED (GB) | 2008-02-12 | — | — | US | disclosed |
| US-7304064-B2 | 1-[(indol-3-yl)carbonyl]piperazine derivatives | N.V. ORGANON (NL) | 2007-12-04 | — | — | US | disclosed |
| EP-1549637-B1 | 1- (INDOL-3-YL)CARBONYL PIPERAZINE DERIVATIVES | ORGANON NV (NL) | 2007-05-02 | — | — | EP | disclosed |
| US-20050250760-A1 | 1-[(Indol-3-yl)carbonyl]piperazine derivatives | MERCK SHARP & DOHME B.V. (NL) | 2005-11-10 | — | — | US | disclosed |
| EP-1549637-A1 | 1- (INDOL-3-YL)CARBONYL PIPERAZINE DERIVATIVES | Akzo Nobel N.V. (NL) | 2005-07-06 | — | — | EP | disclosed |
| US-20050038069-A1 | Substituted azabicyclic compounds | AVENTIS PHARMA LIMITED (GB) | 2005-02-17 | — | — | US | disclosed |
| US-6800645-B1 | INHIBIT PRODUCTION OR PHYSIOLOGICAL EFFECTS OF TNF, INHIBIT CYCLIC AMP PHOSPHODIESTERASE | AVENTIS PHARMA LIMITED (GB) | 2004-10-05 | — | — | US | disclosed |
| WO-2004000832-A1 | 1-[(INDOL-3-YL)CARBONYL] PIPERAZINE DERIVATIVES | AKZO NOBEL N.V. (NL) | 2003-12-31 | — | — | WO | disclosed |
| US-20020173527-A1 | Substituted azabicyclic compounds | ASTLES PETER CHARLES (GB) | 2002-11-21 | — | — | US | disclosed |
| US-6303600-B1 | USED IN THERAPY OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY | RHONE-POULENC RORER LIMITED (GB) | 2001-10-16 | — | — | US | disclosed |
| EP-0934307-A1 | SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE | RHONE-POULENC RORER LIMITED (GB) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998005327-A1 | SUBSTITUTED AROMATIC COMPOUNDS | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1998-02-12 | — | — | WO | disclosed |
| WO-1997048697-A1 | SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE | RHONE-POULENC RORER LIMITED (GB) | 1997-12-24 | — | — | 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-20050250760-A1 | 1-[(Indol-3-yl)carbonyl]piperazine derivatives | IDO1, OPRL1, OPRK1 | ALDH1A1 689/4885CYP3A4 3241/4885TSHR 3363/4885 |
| US-20020173527-A1 | Substituted azabicyclic compounds | CBR1, NOX1, POR | ALDH1A1 375/4885CYP3A4 54/4885TSHR 460/4885 |
| US-20050038069-A1 | Substituted azabicyclic compounds | NR2C2, NR3C1, NR3C2 | ALDH1A1 2795/4885CYP3A4 727/4885TSHR 25/4885 |
“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.