SCHEMBL1186136

SCHEMBL1186136

CON([C]=O)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.37
TSHR P16473 3/20 0.37
KDM4E B2RXH2 1/20 0.37
CHRM2 P08172 2/20 0.36
ADRA2A P08913 2/20 0.36
DRD1 P21728 2/20 0.36
HTR2A P28223 2/20 0.36
SLC6A4 P31645 2/20 0.36
HRH1 P35367 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KMT2A Q03164 2/20 0.36
KCNH2 Q12809 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL316609 0.75 CYP2D6 (0.48) CYP2D6CYP2C19ALDH1A1TSHRKDM4E
SCHEMBL10605561 0.74 CYP2D6 (0.47) CYP2D6CYP2C19ALDH1A1TSHRKDM4E
SCHEMBL5113337 0.74 CYP2D6 (0.42) CYP2D6CYP2C19ALDH1A1TP53TSHR
SCHEMBL14908515 0.72 CYP2D6 (0.50) CYP2D6CYP2C19ALDH1A1TSHRKDM4E
SCHEMBL1448809 0.72 CYP2D6 (0.41) CYP2D6CYP2C19ALDH1A1TP53TSHR
SCHEMBL1186226 0.72
SCHEMBL5778326 0.71 CYP2D6 (0.44) CYP2D6CYP2C19ALDH1A1TSHRKDM4E
SCHEMBL1185718 0.70 CYP2D6 (0.44) CYP2D6CYP2C19ALDH1A1TSHRKDM4E
SCHEMBL6638291 0.70 ALDH1A1 (0.41) CYP2D6CYP2C19ALDH1A1TSHRKDM4E
SCHEMBL9183264 0.69 ALDH1A1 (0.44) CYP2D6CYP2C19ALDH1A1TSHRKDM4E

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF DAIICHI SANKYO CO LTD (JP) 2013-11-07 US disclosed
EP-2463268-B1 4-(Aminomethyl)benzoic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds DAIICHI SANKYO CO LTD (JP) 2013-08-28 EP disclosed
US-8507714-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-08-13 US disclosed
EP-1820798-B1 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF DAIICHI SANKYO CO LTD (JP) 2012-08-22 EP disclosed
EP-2463268-A1 Aminomethyl-substituted aromatic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds Daiichi Sankyo Company, Limited (JP) 2012-06-13 EP disclosed
US-8049006-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-01 US disclosed
US-20110166342-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-7888348-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-02-15 US disclosed
US-20090253683-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF ASUBIO PHARMA CO., LTD (JP) 2009-10-08 US disclosed
US-20090111796-A1 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-04-30 US disclosed
EP-2025672-A1 SEVEN-MEMBERED RING COMPOUND, PRODUCTION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF Asubio Pharma Co., Ltd. (JP) 2009-02-18 EP disclosed
EP-1820798-A1 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF Asubio Pharma Co., Ltd. (JP) 2007-08-22 EP disclosed
EP-0807105-B1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2004-06-16 EP disclosed
US-5994368-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 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 (4 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-20090111796-A1 7-membered ring compound and method of production and pharmaceutical application thereof CMA1, CPA3, SI CYP2D6 585/4885CYP2C19 458/4885ALDH1A1 1889/4885
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI CYP2D6 585/4885CYP2C19 458/4885ALDH1A1 1889/4885
US-20090253683-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI CYP2D6 585/4885CYP2C19 458/4885ALDH1A1 1889/4885
US-20110166342-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI CYP2D6 585/4885CYP2C19 458/4885ALDH1A1 1889/4885

“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.