SCHEMBL186478

SCHEMBL186478

NCc1ncc(Nc2ccc(Br)cc2C(F)(F)F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
CNR2 P34972 2/20 0.35
KDM1A O60341 2/20 0.35
STK17A Q9UEE5 4/20 0.32
STK17B O94768 2/20 0.32
MPO P05164 1/20 0.32
CHEK1 O14757 2/20 0.31
CNR1 P21554 1/20 0.31
EGFR P00533 1/20 0.31
KDR P35968 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
S1PR4 O95977 1/20 0.31
ULK1 O75385 1/20 0.31
MAPK8 P45983 1/20 0.30
MAPK10 P53779 1/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL185485 0.89 CNR2 (0.37) CNR2STK17ASTK17BCHEK1CNR1
SCHEMBL185709 0.85 STK17A (0.38) CNR2STK17ASTK17BCNR1EGFR
Hydrochloric Acid SCHEMBL15456151 0.84 STK17A (0.37) CNR2STK17ASTK17BCNR1EGFR
Hydrochloric Acid SCHEMBL2806736 0.84 STK17A (0.37) CNR2STK17ASTK17BCNR1EGFR
SCHEMBL185004 0.84 EGFR (0.42) EGFRDHODH
SCHEMBL674869 0.82 DHODH (0.40) CNR2CNR1EGFRCYP11B1CYP11B2
SCHEMBL186066 0.80 OPRM1 (0.37) OPRM1CNR2KDM1ASTK17ASTK17B
SCHEMBL2806193 0.79 CNR2 (0.41) OPRM1CNR2MPOCNR1EGFR
SCHEMBL185727 0.79 OPRM1 (0.37) OPRM1CNR2KDM1AMPOEGFR
SCHEMBL186983 0.78 CHEK1 (0.39) OPRM1CHEK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 CN disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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 (2 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 OPRM1 160/4885CNR2 882/4885KDM1A 3672/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 OPRM1 160/4885CNR2 882/4885KDM1A 3672/4885

“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.