SCHEMBL832849

SCHEMBL832849

O=[C]C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.46
ACP3 P15309 1/20 0.46
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CYP1A2 P05177 2/20 0.43
SIGMAR1 Q99720 2/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
MAOA P21397 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
NCOA1 Q15788 1/20 0.40

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL5658415 0.87 ESR1 (0.56) CYP1A2SLC7A5TAAR1ALDH1A1CYP3A4
SCHEMBL7452482 0.87 EPHX1 (0.42) EPHX1ALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL11754330 0.82 ALDH1A1 (0.54) ACP3CYP1A2ALDH1A1CYP2D6TSHR
SCHEMBL11754323 0.82 LDHA (0.51) EPHX1ACP3SLC6A4CYP1A2ALDH1A1
SCHEMBL28313381 0.81 TACR1 (0.42) SLC6A2SLC6A4SLC6A3CYP1A2SIGMAR1
SCHEMBL9852879 0.80 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3SIGMAR1CYP3A4
SCHEMBL22798139 0.79 CYP1A2 (0.48) EPHX1SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL5249350 0.78 ESR1 (0.60) EPHX1ACP3SLC6A2SLC6A4SLC6A3
SCHEMBL56063 0.78 ESR2 (0.60) EPHX1ACP3SLC6A2SLC6A4SLC6A3
SCHEMBL8712988 0.76 LMNA (0.46) TAAR1HTTSMN1; SMN2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997045119-A1 USE OF SUBSTANCE P ANTAGONISTS FOR TREATING SOCIAL PHOBIA NOVARTIS AG (CH) 1997-12-04 WO claimed
US-5416118-A Enzyme inhibitors SCHERING CORPORATION (US) 1995-05-16 US claimed
US-5326762-A Heterocyclic substituted amides SCHERING CORPORATION (US) 1994-07-05 US claimed
EP-0583346-A1 BICYCLIC AMIDES AS INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL ACYL TRANSFERASE SCHERING CORPORATION (US) 1994-02-23 EP claimed
WO-1992018462-A1 BICYCLIC AMIDES AS INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL ACYL TRANSFERASE SCHERING CORPORATION (US) 1992-10-29 WO claimed
EP-0508425-A1 Bicyclic amides as inhibitors of acyl-coenzyme a: cholesterol acyl transferase SCHERING CORPORATION (US) 1992-10-14 EP claimed
US-8143304-B2 (3-amino-1,2,3,4-tetrahydro-9 H-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2012-03-27 US disclosed
EP-2051962-B1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-26 EP disclosed
EP-2316824-A1 (3-Amino-1,2,3,4-tetrahydro-9H-carbazoI-9-yl)-acetic acid derivates Actelion Pharmaceuticals Ltd. (CH) 2011-05-04 EP disclosed
US-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-29 US disclosed
EP-0984778-A4 NEUROPEPTIDE-Y LIGANDS ALANEX CORP (US) 2000-06-07 EP disclosed
EP-0984778-A1 NEUROPEPTIDE-Y LIGANDS Alanex Corporation (US) 2000-03-15 EP disclosed
WO-1998007420-A1 NEUROPEPTIDE-Y LIGANDS AGOURON ACQUISITION CORP. (US) 1998-02-26 WO disclosed
US-5149709-A Treatment of atherosclerosis SCHERING CORPORATION (US) 1992-09-22 US disclosed
EP-0441226-A1 (cyanomethyl)pyridines useful as PAF antagonists J. URIACH & CIA. S.A. (ES) 1991-08-14 EP disclosed
US-4927565-A HYPOTENSIVE AGENT BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-05-22 US disclosed
EP-0367227-A2 Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1990-05-09 EP disclosed
US-4851387-A RENIN INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-07-25 US disclosed
EP-0272583-A2 5-Substituted amino-4-hydroxy-pentenoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-06-29 EP disclosed
EP-0264106-A2 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-04-20 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 (1 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives PTGDR, PTGER1, PTGIR EPHX1 975/4885ACP3 1184/4885SLC6A2 3506/4885

“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.