SCHEMBL756642

SCHEMBL756642

COc1ccc(Oc2ccc(C(C)N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
SLC6A4 P31645 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PARP10 Q53GL7 1/20 0.47
ADRB2 P07550 1/20 0.46
ACHE P22303 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL57137 0.93 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C19SLC6A4CA1
SCHEMBL120603 0.93 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C19SLC6A4CA1
SCHEMBL56478 0.93 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C19SLC6A4CA1
Bromide SCHEMBL28602504 0.91 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19SLC6A4CA1
Hydrochloric Acid SCHEMBL28706049 0.91 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19SLC6A4CA1
Hydrochloric Acid SCHEMBL28704563 0.91 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19SLC6A4CA1
Hydrochloric Acid SCHEMBL2186508 0.91 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19SLC6A4CA1
SCHEMBL24152555 0.91 ADRB2 (0.54) LTA4HCYP1A2CYP2D6CYP2C19ADRB2
SCHEMBL30913870 0.87 ALOX5 (0.53) CYP1A2CYP2D6CYP2C19SLC6A4CA1
Propane SCHEMBL29187532 0.87 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C19SLC6A4CA1

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 10 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
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 LTA4H 210/4885CYP1A2 1724/4885CYP2D6 1154/4885

“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.