SCHEMBL758255

SCHEMBL758255

COc1ccc(Oc2ccc(CN)cc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.51
ROCK1 Q13464 2/20 0.51
TAAR1 Q96RJ0 2/20 0.49
MAOB P27338 5/20 0.46
ST14 Q9Y5Y6 1/20 0.46
AKT1 P31749 1/20 0.44
RPS6KA1 Q15418 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PPARD Q03181 1/20 0.43
ADRA1A P35348 1/20 0.42
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
IDO1 P14902 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
SCHEMBL12239024 0.90 ST14 (0.50) ROCK2ROCK1TAAR1MAOBST14
SCHEMBL12238998 0.84 ROCK2 (0.51) ROCK2ROCK1TAAR1MAOBST14
SCHEMBL921313 0.83 ROCK2 (0.50) ROCK2ROCK1MAOBST14AKT1
SCHEMBL12238990 0.83 ROCK2 (0.48) ROCK2ROCK1TAAR1ST14AKT1
SCHEMBL855493 0.83 KDM4E (0.53) RAB9ACYP1A2CYP3A4TSHRNFKB1
SCHEMBL29729049 0.83 KDM4E (0.53) RAB9ACYP1A2CYP3A4TSHRNFKB1
SCHEMBL14662168 0.82 ROCK2 (0.55) ROCK2ROCK1TAAR1MAOBST14
Hydrochloric Acid SCHEMBL3562522 0.81 KDM4E (0.52) TAAR1RAB9ACYP1A2CYP3A4TSHR
SCHEMBL13904121 0.81 ROCK2 (0.49) ROCK2ROCK1TAAR1ST14AKT1
SCHEMBL10121117 0.80 L3MBTL1 (0.51) TAAR1MAOBST14RAB9AL3MBTL1

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 9 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-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
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
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 ROCK2 2616/4885ROCK1 1241/4885TAAR1 145/4885

“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.