SCHEMBL7465770

SCHEMBL7465770

CCOC(=O)CC1(c2ccc(C)c(C)c2)CNC(=O)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
CCR2 P41597 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
BRD4 O60885 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.32
NLRP3 Q96P20 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11816778 0.86 GAA (0.42) GAAALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL6992040 0.86 SLC6A4 (0.47) GAAMAPK1MAPTSLC6A2SLC6A4
SCHEMBL7487771 0.86 KMT2A (0.37) GAAALDH1A1HPGDHSD17B10CCR2
SCHEMBL6995994 0.85 GAA (0.41) GAAALDH1A1MAPK1KMT2AMAPT
SCHEMBL7954832 0.85 OPRM1 (0.44) GAAALDH1A1KMT2ASLC6A2SLC6A4
SCHEMBL6991097 0.85 ALDH1A1 (0.55) GAAALDH1A1KDM4ECASP1LMNA
SCHEMBL31634522 0.85 GAA (0.40) GAAALDH1A1HPGDHSD17B10MAPK1
SCHEMBL31684880 0.85 GAA (0.40) GAAALDH1A1HPGDHSD17B10MAPK1
SCHEMBL11817118 0.84 GAA (0.41) GAAALDH1A1HPGDHSD17B10CCR2
SCHEMBL6993857 0.84 GAA (0.40) GAAALDH1A1KMT2ALMNAMAPT

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 15 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
EP-0946548-B1 NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES AVENTIS PHARMA INC (US) 2002-03-06 EP 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
EP-0946545-B1 NOVEL CARBOXY SUBSTITUTED CYCLIC CARBOXAMIDE DERIVATIVES AVENTIS PHARMA INC (US) 2001-09-05 EP 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
US-5977139-A Carboxysubstituted cyclic carboxamide derivatives HOECHST MARION ROUSSEL, INC. (US) 1999-11-02 US disclosed
EP-0946548-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1999-10-06 EP disclosed
EP-0946545-A1 NOVEL CARBOXY SUBSTITUTED CYCLIC CARBOXAMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1999-10-06 EP disclosed
US-5861417-A TACHYKININ RECEPTOR ANTAGONISTS USEFUL IN TREATING ASTHMA, COUGH, BRONCHITIS, PAIN HOECHST MARION ROUSSEL, INC. (US) 1999-01-19 US 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-1998027086-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1998-06-25 WO disclosed
WO-1998027085-A1 NOVEL CARBOXY SUBSTITUTED CYCLIC CARBOXAMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1998-06-25 WO 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 GAA 2327/4885ALDH1A1 953/4885HPGD 639/4885

“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.