SCHEMBL2314485

SCHEMBL2314485

CCCC(CC(=O)O)n1c(=O)n([C@@H](C)c2c[nH]c3cc(C)cc(C)c23)c2ccc(C#N)cc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 13/20 0.35
CTSG P08311 1/20 0.33
HTR1D P28221 1/20 0.32
OPRK1 P41145 1/20 0.32
EGLN1 Q9GZT9 3/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CRHR1 P34998 1/20 0.30

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
SCHEMBL2308199 1.00 CMA1 (0.35) CMA1CTSGHTR1DOPRK1EGLN1
SCHEMBL2309175 0.95 CMA1 (0.40) CMA1HTR1DOPRK1EGLN1KDM4E
SCHEMBL2309421 0.94 CMA1 (0.37) CMA1HTR1DOPRK1EGLN1KDM4E
SCHEMBL2309429 0.94 CMA1 (0.37) CMA1HTR1DOPRK1EGLN1KDM4E
SCHEMBL2312264 0.91 CMA1 (0.38) CMA1CTSGKDM4EGAAMAPT
SCHEMBL2312269 0.91 CMA1 (0.38) CMA1CTSGKDM4EGAAMAPT
SCHEMBL2314599 0.90 CMA1 (0.36) CMA1EGLN1
SCHEMBL2314601 0.90 CMA1 (0.36) CMA1EGLN1
SCHEMBL2313197 0.86 KDM4E (0.32) KDM4EGAAMAPTL3MBTL1
SCHEMBL2310727 0.86 CMA1 (0.35) CMA1EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150556-B2 Benzimidazolone chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
EP-2152674-B1 BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-08-03 EP disclosed
US-20100240702-A1 Benzimidazolone Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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-20100240702-A1 Benzimidazolone Chymase Inhibitors CMA1, SERPINB1, CPA3 CMA1 1/4885CTSG 26/4885HTR1D 2802/4885

“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.