SCHEMBL769591

SCHEMBL769591

Cc1cccc2c1C(=O)CCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
MAOB P27338 4/20 0.40
MAOA P21397 2/20 0.40
GRM5 P41594 3/20 0.38
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
BCHE P06276 2/20 0.35
CDK2 P24941 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL10158539 0.81 MAPT (0.42) MAP3K14MAPTKDM4ENPC1ALDH1A1
SCHEMBL769070 0.78 MAOB (0.42) MAPTLMNAMAOBMAOAGRM5
SCHEMBL30401806 0.78 ITGB1 (0.40) MAPTMAOBMAOAGRM5ITGB2
SCHEMBL9923781 0.78 MAOA (0.46) MAPTLMNAMAOBMAOAGRM5
SCHEMBL13506273 0.78 MAOB (0.39) MAPTLMNAMAOBMAOAGRM5
SCHEMBL12431229 0.78 ITGB1 (0.40) MAPTMAOBMAOAGRM5ITGB2
SCHEMBL31411168 0.77 MAPT (0.51) MAPTLMNAMAOBKDM4EALDH1A1
SCHEMBL12316566 0.77 MAPT (0.51) MAPTLMNAMAOBKDM4EALDH1A1
SCHEMBL2156974 0.77 ALDH1A1 (0.36) MAPTLMNAMAOBMAOAGRM5
SCHEMBL11476070 0.76 KDM4E (0.38) MAPTLMNAMAOBMAOAGRM5

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233087-B1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (DE) 2019-10-02 EP disclosed
WO-2019070742-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS SIDECAR THERAPEUTICS, INC. (US) 2019-04-11 WO disclosed
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
US-7718809-B2 Chromane substituted benzimidazole derivatives as acid pump antagonists RAQUALIA PHARMA INC. (JP) 2010-05-18 US disclosed
EP-1893197-B1 CHROMANE SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS RAQUALIA PHARMA INC (JP) 2009-09-09 EP disclosed
EP-1981499-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20080214519-A1 Chromane Substituted Benzimidazole Derivatives as Acid Pump Antagonists RAQUALIA PHARMA INC. (JP) 2008-09-04 US disclosed
EP-1893197-A1 CHROMANE SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS Pfizer, Inc. (US) 2008-03-05 EP disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
WO-2007085558-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
WO-2006134460-A1 CHROMANE SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-12-21 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES CRY1, PER2, GPR119 MAP3K14 2717/4885MAPT 31/4885LMNA 1909/4885
US-20080214519-A1 Chromane Substituted Benzimidazole Derivatives as Acid Pump Antagonists HRH2, HRH4, HRH1 MAP3K14 2415/4885MAPT 4797/4885LMNA 4444/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 MAP3K14 2855/4885MAPT 33/4885LMNA 1894/4885

“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.