SCHEMBL6996096

SCHEMBL6996096

COc1cc(CN2CCC(CCOS(C)(=O)=O)(Cc3ccc(F)cc3)C2=O)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
HRH1 P35367 1/20 0.39
PKM P14618 1/20 0.38
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 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
SCHEMBL6997482 0.95 ALDH1A1 (0.42) ALDH1A1KDM4EHTTHRH1PKM
SCHEMBL6992505 0.92 L3MBTL1 (0.43) ALDH1A1HTTSMN1; SMN2MAPTLMNA
SCHEMBL6998268 0.91 MAPK1 (0.41) ALDH1A1KDM4EHTTL3MBTL1MAPK1
SCHEMBL7981028 0.90 TP53 (0.39) ALDH1A1KDM4EHTTHRH1TP53
SCHEMBL6994509 0.90 KMT2A (0.37) ALDH1A1KDM4EHTTSMN1; SMN2LMNA
SCHEMBL7947370 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EHTTHRH1PKM
SCHEMBL6996780 0.87 ALDH1A1 (0.44) ALDH1A1KDM4EHTTHRH1PKM
SCHEMBL6998052 0.86 CYP2D6 (0.41) ALDH1A1
SCHEMBL6992507 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EHTTHRH1PKM
SCHEMBL6997994 0.86 CYP2D6 (0.37) ALDH1A1KDM4EHTTSMN1; 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 14 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
EP-0920425-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-06-09 EP 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
EP-0874843-A1 NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-11-04 EP disclosed
WO-1997022604-A1 NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-06-26 WO disclosed
WO-1997019074-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-05-29 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 (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 953/4885KDM4E 1512/4885HTT 3574/4885

“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.