SCHEMBL187148

SCHEMBL187148

Nc1ccc(C(=O)N[C@@]2(C(=O)NCc3ncc(Nc4ccc(Cl)cc4C(F)(F)F)cc3Cl)CCOC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
CNR2 P34972 7/20 0.37
RAB9A P51151 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 2/20 0.34
DDR1 Q08345 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
GNRHR P30968 2/20 0.32
P2RX7 Q99572 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2810809 1.00 EPHX2 (0.39) EPHX2CNR2RAB9ACYP1A2CYP2D6
SCHEMBL185091 0.94 EPHX2 (0.37) EPHX2CNR2RAB9ACYP1A2CYP2D6
SCHEMBL2805721 0.94 EPHX2 (0.37) EPHX2CNR2RAB9ACYP1A2CYP2D6
SCHEMBL2809928 0.90 CNR2 (0.38) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2806748 0.90 CNR2 (0.42) EPHX2CNR2RAB9ACYP1A2CYP2D6
SCHEMBL185978 0.90 CNR2 (0.42) EPHX2CNR2RAB9ACYP1A2CYP2D6
SCHEMBL185489 0.90 CNR2 (0.38) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2806178 0.90 CNR2 (0.38) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2805120 0.89 CNR2 (0.38) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2805186 0.89 CNR2 (0.37) CNR2RAB9ACYP1A2CYP2D6CYP2C19

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-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
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
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP 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
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US 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 EPHX2 1733/4885CNR2 882/4885RAB9A 347/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 EPHX2 1733/4885CNR2 882/4885RAB9A 347/4885

“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.