SCHEMBL12239010

SCHEMBL12239010

NCc1ccc(Oc2cccc(Cl)c2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.57
CARM1 Q86X55 2/20 0.54
PRMT6 Q96LA8 2/20 0.54
ST14 Q9Y5Y6 3/20 0.50
PNMT P11086 1/20 0.47
MAOB P27338 6/20 0.43
ALDH1A1 P00352 2/20 0.41
RHEB Q15382 1/20 0.41
TLR8 Q9NR97 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CASR P41180 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL921762 0.87 DPP4 (0.64) DPP4CARM1PRMT6ST14MAOB
SCHEMBL32670327 0.86 CARM1 (0.51) DPP4CARM1PRMT6ALDH1A1RHEB
Hydrochloric Acid SCHEMBL2787535 0.86 DPP4 (0.62) DPP4CARM1PRMT6ST14MAOB
SCHEMBL12239021 0.83 ALDH1A1 (0.48) DPP4CARM1PRMT6ST14MAOB
SCHEMBL6826223 0.81 MAOA (0.50) DPP4CARM1PRMT6MAOBALDH1A1
SCHEMBL31448129 0.81 MAOA (0.50) DPP4CARM1PRMT6MAOBALDH1A1
SCHEMBL3667279 0.79 DPP4 (0.61) DPP4CARM1PRMT6ALDH1A1RHEB
SCHEMBL11402635 0.78 MEN1 (0.48) DPP4CARM1PRMT6ALDH1A1RHEB
SCHEMBL31447979 0.77 CARM1 (0.47) DPP4CARM1PRMT6ALDH1A1RHEB
SCHEMBL8115750 0.76 DPP4 (0.50) DPP4CARM1PRMT6ALDH1A1RHEB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 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-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB DPP4 3173/4885CARM1 3858/4885PRMT6 1981/4885

“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.