SCHEMBL2809939

SCHEMBL2809939

O=C(NC1(C(=O)NCc2ccc(Nc3ccc(Cl)cc3C(F)(F)F)cn2)CC1)c1cccc(O)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.37
TRPV1 Q8NER1 5/20 0.37
CNR2 P34972 8/20 0.36
P2RX7 Q99572 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C19 P33261 3/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
GRM4 Q14833 1/20 0.34

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
SCHEMBL2804950 0.91 CNR2 (0.39) TRPV1CNR2RAB9AGRM4
SCHEMBL2809088 0.89 CYP1A2 (0.35) MRGPRX4TRPV1CNR2P2RX7CYP1A2
SCHEMBL14856645 0.87 TRPV1 (0.35) MRGPRX4TRPV1CNR2P2RX7KDM4E
SCHEMBL14865323 0.87 CNR2 (0.34) MRGPRX4TRPV1CNR2P2RX7CYP1A2
SCHEMBL186307 0.86 RAB9A (0.40) TRPV1CNR2P2RX7CYP1A2CYP2D6
SCHEMBL2810010 0.86 RAB9A (0.39) TRPV1CNR2P2RX7CYP1A2CYP2D6
SCHEMBL13159819 0.85 CNR2 (0.38) TRPV1CNR2P2RX7CYP1A2CYP2D6
SCHEMBL2809946 0.85 CNR2 (0.39) MRGPRX4TRPV1CNR2P2RX7CYP1A2
SCHEMBL185699 0.85 RAB9A (0.37) TRPV1CNR2P2RX7CYP1A2CYP2D6
SCHEMBL13128996 0.85 CNR2 (0.36) CNR2CYP1A2CYP2D6CYP2C19RAB9A

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 MRGPRX4 55/4885TRPV1 393/4885CNR2 882/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MRGPRX4 55/4885TRPV1 393/4885CNR2 882/4885

“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.