SCHEMBL12239016

SCHEMBL12239016

Cc1ccc(Cl)c(Oc2ccc(CN)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 3/20 0.50
HTR2A P28223 3/20 0.46
SLC6A4 P31645 3/20 0.46
KCNH2 Q12809 3/20 0.46
CSNK2A1 P68400 4/20 0.44
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DPP4 P27487 1/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL12239009 0.90 ST14 (0.50) ST14HTR2ASLC6A4KCNH2CSNK2A1
SCHEMBL921480 0.85 ST14 (0.52) ST14HTR2ASLC6A4KCNH2CSNK2A1
SCHEMBL11428548 0.84 HTR2A (0.50) HTR2ASLC6A4KCNH2MEN1USP2
SCHEMBL12239022 0.84 ST14 (0.50) ST14HTR2ASLC6A4KCNH2CSNK2A1
SCHEMBL922082 0.83 ST14 (0.53) ST14SLC6A4ALDH1A1KMT2AMAOB
SCHEMBL10121244 0.83 ST14 (0.53) ST14HTR2ASLC6A4KCNH2MEN1
SCHEMBL554766 0.81 TEAD4 (0.57) HTR2ASLC6A4KCNH2MEN1USP2
SCHEMBL921987 0.80 ST14 (0.53) ST14HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL17085324 0.78 TAAR1 (0.50) HTR2ASLC6A4KCNH2MAOB
SCHEMBL5371133 0.78 SLC6A4 (0.45) HTR2ASLC6A4KCNH2MEN1USP2

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 ST14 4642/4885HTR2A 1467/4885SLC6A4 2203/4885

“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.