SCHEMBL6997876

SCHEMBL6997876

CCOC(=O)CC1(c2ccncc2)CNC(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.41
PPID Q08752 1/20 0.38
CYP19A1 P11511 8/20 0.36
ALDH1A1 P00352 3/20 0.36
ALDH2 P05091 1/20 0.36
ALDH3A1 P30838 1/20 0.36
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NAMPT P43490 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GLA P06280 1/20 0.34
CASP1 P29466 1/20 0.34
POLB P06746 1/20 0.34
BRD4 O60885 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL2637139 0.88 GAA (0.53) GAAALDH1A1KMT2AL3MBTL1BRD4
SCHEMBL11816778 0.88 GAA (0.42) GAAALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL6995994 0.87 GAA (0.41) GAAALDH1A1KMT2A
SCHEMBL31634506 0.86 GAA (0.40) GAAALDH1A1KMT2AL3MBTL1HPGD
SCHEMBL6993857 0.86 GAA (0.40) GAAALDH1A1KMT2APOLB
SCHEMBL6998109 0.85 KDM4E (0.46) GAAALDH1A1KMT2AKDM4EHPGD
SCHEMBL7961244 0.85 GAA (0.38) GAAPOLB
SCHEMBL6998444 0.85 GAA (0.45) GAAALDH1A1KMT2AKDM4EHPGD
SCHEMBL7465770 0.82 GAA (0.37) GAAALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL3951711 0.82 GAA (0.50) GAAPPIDCYP19A1ALDH1A1ALDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920425-B1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2003-02-19 EP disclosed
CN-1098264-C Substituted 4- (1H-benzimidazol-2-yl-amino) piperidines for the treatment of allergic diseases AVENTIS PHARMA INC (US) 2003-01-08 CN disclosed
EP-0874843-B1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-08-07 EP disclosed
US-6423704-B2 CROHN'S DISEAS, ANTIULCER AGENTS, ASTHMA, EMESIS AVENTIS PHARMACEUTICALS INC. 2002-07-23 US disclosed
CN-1080262-C Novel substituted 4-(1H-benzimidazol-2-YL) [1,4] diazepanes useful for the treatment of allergic diseases HOECHST MARION ROUSSEL INC (US) 2002-03-06 CN 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
US-6211199-B1 HISTAMINE AND TACHYKININ RECEPTOR ANTAGONISTS; ANTIASTHMATICS, ANTIEMETICS; RESPIRATORY SYSTEM DISORDERS, INFLAMMATORY BOWEL DISEASE, CONJUNCTIVITIS AVENTIS PHARMACEUTICALS INC. 2001-04-03 US disclosed
US-6194406-B1 HISTAMINE RECEPTOR ANTAGONISTS; TACHYKININ RECEPTOR ANTAGONISTS; ASTHMA; BRONCHITIS; INFLAMMATORY BOWEL DISEASES, INCLUDING CROHN'S DISEASE AND ULCERATIVE COLITIS; SEASONAL RHINITIS; SINUSITIS; ANTIALLERGENS; EMETIC AGENTS AVENTIS PHARMACEUTICALS INC. 2001-02-27 US disclosed
CN-1207097-A Novel substituted 4- (1H-benzimidazol-2-yl) [1,4] diazepanes useful for the treatment of allergic diseases HOECHST MARION ROUSSEL INC (US) 1999-02-03 CN disclosed
CN-1202894-A Substituted 4-(1H-benzimidzol-2-yl-amino) piepridines useful for the treatment of allergic diseases HOECHST MARION ROUSSEL INC (US) 1998-12-23 CN 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 GAA 2327/4885PPID 2072/4885CYP19A1 1703/4885

“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.