SCHEMBL2810185

SCHEMBL2810185

O=C(NC1(C(=O)NCc2ccc(Nc3ccc(Cl)cc3C(F)(F)F)cn2)CC1)c1cn[nH]c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
CNR2 P34972 5/20 0.37
BDKRB1 P46663 1/20 0.35
CTSL P07711 1/20 0.35
NAMPT P43490 2/20 0.35
ROCK2 O75116 2/20 0.34
CNR1 P21554 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RX7 Q99572 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ROCK1 Q13464 1/20 0.34
DDR1 Q08345 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
SCHEMBL2811637 0.90 RAB9A (0.36) CYP1A2CYP2D6CYP2C19RAB9ACNR2
SCHEMBL2806105 0.89 CNR2 (0.39) CYP1A2CYP2D6CYP2C19RAB9ACNR2
SCHEMBL2810010 0.89 RAB9A (0.39) CYP1A2CYP2D6CYP2C19RAB9ACNR2
SCHEMBL2808761 0.89 BDKRB1 (0.40) CYP1A2CYP2D6CYP2C19RAB9ACNR2
SCHEMBL14856723 0.88 CNR2 (0.36) PROKR1CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL2810171 0.88 CNR2 (0.37) CYP1A2CYP2D6CYP2C19RAB9ACNR2
SCHEMBL2809030 0.88 CNR2 (0.39) CYP1A2CYP2D6CYP2C19RAB9ACNR2
SCHEMBL13128552 0.88 CNR2 (0.39) CYP1A2CYP2D6CYP2C19RAB9ACNR2
SCHEMBL13128633 0.88 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C19RAB9ACNR2
SCHEMBL186019 0.88 BDKRB1 (0.40) 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 7 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
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 PROKR1 642/4885CYP1A2 892/4885CYP2D6 382/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 PROKR1 642/4885CYP1A2 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.