SCHEMBL7487771

SCHEMBL7487771

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.36
ALDH1A1 P00352 4/20 0.35
SLC6A3 Q01959 4/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
LMNA P02545 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRND Q07001 1/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
MCHR1 Q99705 1/20 0.33
CCR2 P41597 1/20 0.33
NR1H4 Q96RI1 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
SCHEMBL6993857 0.87 GAA (0.40) KMT2AGAAALDH1A1LMNA
SCHEMBL7465770 0.86 GAA (0.37) KMT2AGAAALDH1A1SLC6A3SLC6A2
SCHEMBL6995994 0.85 GAA (0.41) KMT2AGAAALDH1A1TSHR
SCHEMBL11816778 0.84 GAA (0.42) KMT2AGAAALDH1A1LMNAKDM4E
SCHEMBL6992040 0.84 SLC6A4 (0.47) GAASLC6A3SLC6A2SLC6A4TSHR
SCHEMBL7490147 0.83 GAA (0.40) KMT2AGAAALDH1A1SLC6A3SLC6A2
SCHEMBL6991097 0.83 ALDH1A1 (0.55) GAAALDH1A1LMNATSHRKDM4E
SCHEMBL7954832 0.83 OPRM1 (0.44) KMT2AGAAALDH1A1SLC6A3SLC6A2
SCHEMBL11817118 0.82 GAA (0.41) KMT2AGAAALDH1A1SLC6A3SLC6A2
SCHEMBL31634506 0.82 GAA (0.40) KMT2AGAAALDH1A1LMNAHPGD

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-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-0946545-A1 NOVEL CARBOXY SUBSTITUTED CYCLIC CARBOXAMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1999-10-06 EP 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-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 KMT2A 1358/4885GAA 2327/4885ALDH1A1 953/4885

“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.