SCHEMBL6592173

SCHEMBL6592173

CCCCCn1c(N2CCCN(C(=O)OC(C)(C)C)CC2)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
POLB P06746 1/20 0.53
CNR2 P34972 1/20 0.53

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
SCHEMBL7487632 0.90 ALDH1A1 (0.53) ALDH1A1NPSR1POLB
SCHEMBL6595306 0.89 ALDH1A1 (0.57) ALDH1A1NPSR1POLB
SCHEMBL7628660 0.89 ALDH1A1 (0.56) ALDH1A1NPSR1POLB
SCHEMBL6595521 0.89 ALDH1A1 (0.51) ALDH1A1NPSR1POLB
SCHEMBL6595821 0.89 ALDH1A1 (0.52) ALDH1A1NPSR1POLB
SCHEMBL7627768 0.88 ALDH1A1 (0.55) ALDH1A1NPSR1POLB
SCHEMBL7629372 0.86 ALDH1A1 (0.52) ALDH1A1NPSR1
SCHEMBL7621503 0.85 ALDH1A1 (0.53) ALDH1A1NPSR1POLB
SCHEMBL7621522 0.85 ALDH1A1 (0.52) ALDH1A1NPSR1POLB
SCHEMBL7623102 0.85 ALDH1A1 (0.52) ALDH1A1NPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888338-B1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2004-11-17 EP disclosed
US-6423704-B2 CROHN'S DISEAS, ANTIULCER AGENTS, ASTHMA, EMESIS AVENTIS PHARMACEUTICALS INC. 2002-07-23 US disclosed
US-20010034343-A1 Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases AVENTIS PHARMACEUTICALS INC. 2001-10-25 US 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-20010034343-A1 Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases HRH4, HRH2, HRH1 ALDH1A1 953/4885NPSR1 102/4885POLB 4594/4885

“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.