SCHEMBL6995220

SCHEMBL6995220

COc1ccccc1CN1CCC(CCO)(Cc2ccc(F)cc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 2/20 0.41
TACR1 P25103 2/20 0.40
CYP2D6 P10635 4/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7486265 0.85 TSHR (0.49) KMT2AALDH1A1MEN1NPC1TSHR
SCHEMBL6998052 0.85 CYP2D6 (0.41) KMT2AALDH1A1MEN1NPC1TSHR
SCHEMBL6992507 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EPOLB
SCHEMBL6997070 0.83 KMT2A (0.37) KMT2AALDH1A1MEN1NPC1TSHR
Fluorobenzene SCHEMBL27404981 0.81 KMT2A (0.43) KMT2AALDH1A1MEN1TSHRTACR1
SCHEMBL7495346 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EPOLB
SCHEMBL6999204 0.78 MAPK1 (0.46) KMT2AALDH1A1MEN1POLB
SCHEMBL8553902 0.77 NPC1 (0.44) KMT2AALDH1A1MEN1NPC1TSHR
SCHEMBL6999822 0.76 KMT2A (0.51) KMT2AALDH1A1MEN1CYP2D6POLB
SCHEMBL6998261 0.76 SMN1; SMN2 (0.46) KMT2AALDH1A1MEN1POLB

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 KMT2A 1358/4885ALDH1A1 953/4885MEN1 1955/4885

“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.