SCHEMBL185785

SCHEMBL185785

Nc1ccc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(Cl)cc4C(F)(F)F)cn3)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
CNR2 P34972 4/20 0.38
DDR1 Q08345 1/20 0.35
ABL1 P00519 2/20 0.34
BCR P11274 2/20 0.34
P2RX7 Q99572 1/20 0.34
KDM4E B2RXH2 1/20 0.33
BACE1 P56817 1/20 0.33
PTK2 Q05397 1/20 0.33
BDKRB1 P46663 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
CTSL P07711 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL186398 0.92 HDAC1 (0.35) EPHX2CNR2ABL1BCRP2RX7
SCHEMBL2809030 0.92 CNR2 (0.39) CYP1A2CYP2D6CYP2C19RAB9ACNR2
SCHEMBL186307 0.91 RAB9A (0.40) EPHX2CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL13128577 0.91 CNR2 (0.36) EPHX2CNR2ABL1BCRKDM4E
SCHEMBL186523 0.91 RAB9A (0.39) EPHX2CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL185549 0.90 CYP1A2 (0.39) CYP1A2CYP2D6CYP2C19RAB9ACNR2
SCHEMBL2810010 0.90 RAB9A (0.39) CYP1A2CYP2D6CYP2C19RAB9ACNR2
SCHEMBL185846 0.89 CYP1A2 (0.38) EPHX2CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL13128552 0.89 CNR2 (0.39) CYP1A2CYP2D6CYP2C19RAB9ACNR2
SCHEMBL13128633 0.89 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C19RAB9ACNR2

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-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
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 1733/4885CYP1A2 892/4885CYP2D6 382/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 EPHX2 1733/4885CYP1A2 892/4885CYP2D6 382/4885

“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.