SCHEMBL756590

SCHEMBL756590

COc1ccc(Oc2ccc(CN)cc2)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
RAB9A P51151 1/20 0.48
ST14 Q9Y5Y6 1/20 0.46
MAOB P27338 6/20 0.46
AR P10275 4/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PTPN7 P35236 1/20 0.41
DUSP3 P51452 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL10121117 0.91 L3MBTL1 (0.51) L3MBTL1RAB9AST14MAOBAR
SCHEMBL12239003 0.87 ST14 (0.47) L3MBTL1RAB9AST14MAOBHTR2A
SCHEMBL3648618 0.83 AR (0.44) L3MBTL1RAB9AARMAPTNPSR1
SCHEMBL12239027 0.82 ST14 (0.46) L3MBTL1RAB9AST14MAOBAR
SCHEMBL12239032 0.82 ST14 (0.46) ST14MAOBARMAPTHTR2A
SCHEMBL765641 0.82 ST14 (0.46) L3MBTL1RAB9AST14MAOBAR
SCHEMBL2786289 0.81 AR (0.53) L3MBTL1RAB9AARMAPTNPSR1
SCHEMBL3722872 0.81 L3MBTL1 (0.41) L3MBTL1RAB9AARMAPTNPSR1
SCHEMBL12239037 0.80 LOXL2 (0.55) ARMAPTNPSR1HTR2C
SCHEMBL12239024 0.80 ST14 (0.50) ST14MAOB

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 11 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
WO-2010097374-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO 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
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 L3MBTL1 2516/4885RAB9A 2107/4885ST14 4642/4885

“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.