SCHEMBL753498

SCHEMBL753498

N#Cc1ccc(Oc2ccc(Cl)cc2F)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.50
KCNH2 Q12809 2/20 0.50
SLC6A3 Q01959 2/20 0.50
SLC6A2 P23975 2/20 0.49
AR P10275 2/20 0.45
SLC22A12 Q96S37 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.40
USP30 Q70CQ3 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
CCR2 P41597 1/20 0.38

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
SCHEMBL29255047 0.87 AR (0.48) SLC6A4KCNH2SLC6A3ARSLC22A12
SCHEMBL3131610 0.87 MERTK (0.46) SLC6A4KCNH2SLC6A3SLC6A2AR
SCHEMBL29254954 0.81 S1PR3 (0.42) SLC6A4KCNH2SLC6A3SLC6A2AR
SCHEMBL27300022 0.81 ALOX5AP (0.47) SLC6A4KCNH2SLC6A3SLC6A2SLC22A12
SCHEMBL31086329 0.81 S1PR3 (0.42) SLC6A4KCNH2SLC6A3SLC6A2AR
SCHEMBL29581919 0.80 AR (0.46) ARSLC22A12USP30
SCHEMBL20794290 0.80 EGLN2 (0.50) SLC6A4KCNH2SLC6A3SLC22A12CYP11B1
SCHEMBL29254939 0.80 SLC22A12 (0.42) SLC6A4KCNH2SLC6A3ARSLC22A12
SCHEMBL4188121 0.79 AR (0.60) SLC6A4KCNH2SLC6A3SLC6A2AR
SCHEMBL28681143 0.76 KDM4E (0.51) SLC6A4KCNH2SLC6A3SLC6A2AR

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
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
EP-2188254-A1 NOVEL BRADYKININ B1-ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP 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 SLC6A4 2203/4885KCNH2 61/4885SLC6A3 2382/4885

“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.