SCHEMBL6998325

SCHEMBL6998325

COc1cc(CN2CCC(CCOS(C)(=O)=O)(c3ccccc3)C2=O)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.45
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
MAPK1 P28482 1/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HCRTR1 O43613 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7961446 0.88 HRH1 (0.44) HRH1PDE4APDE4BPDE4CPDE4D
SCHEMBL6991711 0.85 HRH1 (0.47) HRH1PDE4APDE4BPDE4CPDE4D
SCHEMBL6998268 0.84 MAPK1 (0.41) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL27404103 0.83 MAPK1 (0.40) MAPK1BCHEACHEBACE1MEN1
Fluorobenzene SCHEMBL27405662 0.82 HTT (0.44) HRH1MAPK1BCHEACHEBACE1
SCHEMBL6999431 0.82 HRH1 (0.46) HRH1PDE4APDE4BPDE4CPDE4D
SCHEMBL8318836 0.81 MAPK1 (0.39) HRH1PDE4APDE4BPDE4CPDE4D
SCHEMBL6992505 0.77 L3MBTL1 (0.43) MAPK1MEN1KMT2AGAAPOLB
SCHEMBL6996096 0.77 ALDH1A1 (0.44) HRH1MAPK1L3MBTL1KDM4EALDH1A1
SCHEMBL7627714 0.77 MAPK1 (0.41) MAPK1BCHEACHEBACE1MEN1

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 12 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
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

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 HRH1 3/4885PDE4A 572/4885PDE4B 494/4885

“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.