SCHEMBL7495674

SCHEMBL7495674

CCOC(=O)CC(C#N)(CC(=O)OCC)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
SCN5A Q14524 3/20 0.39
SCN9A Q15858 3/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
XPO1 O14980 1/20 0.38
GAA P10253 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
ALDH1A1 P00352 6/20 0.38
NPC1 O15118 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 3/20 0.37
ELANE P08246 1/20 0.37
CYP3A4 P08684 1/20 0.37
GRM5 P41594 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL27664405 0.87 MAPT (0.41) MAPTSCN5ASCN9ATRPM8GAA
SCHEMBL11819398 0.86 LMNA (0.41) MAPTGAAALDH1A1NPC1NPSR1
SCHEMBL31634484 0.84 EGFR (0.38) MAPTGAAALDH1A1MEN1HPGD
SCHEMBL7947276 0.84 ALDH1A1 (0.44) MAPTXPO1GAAALDH1A1MEN1
SCHEMBL6996439 0.83 TSHR (0.42) MAPTGAAALDH1A1NPC1MEN1
SCHEMBL2636117 0.83 SMN1; SMN2 (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4431094 0.83 KYAT1 (0.40) MAPTSCN5ASCN9ATRPM8GAA
SCHEMBL11816273 0.83 SMN1; SMN2 (0.42) MAPTGAAALDH1A1NPC1MEN1
SCHEMBL6999249 0.83 TSHR (0.41) MAPTALDH1A1NPSR1HPGDKMT2A
SCHEMBL6997548 0.81 ESR1 (0.37) GAAALDH1A1NPC1MEN1KMT2A

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-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
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 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
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-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP 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
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US 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
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed
US-3958003-A HETEROCYCLIC COMPOUND, ANALGESICS CENTRAL NERVOUS SYSTEM DEPRESSANT SANDOZ LTD. (CH) 1976-05-18 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 MAPT 3666/4885SCN5A 451/4885SCN9A 924/4885

“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.