SCHEMBL3687002

SCHEMBL3687002

COc1cccc(OC)c1C1=CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.34
P2RX7 Q99572 2/20 0.34
EGFR P00533 2/20 0.33
ABCB1 P08183 2/20 0.33
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33
SUV39H2 Q9H5I1 2/20 0.33
CCNT1 O60563 4/20 0.32
CDK9 P50750 4/20 0.32
POLB P06746 2/20 0.32
ALOX15 P16050 2/20 0.32
NAMPT P43490 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
QDPR P09417 1/20 0.32

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
SCHEMBL3691663 0.90 TRPV1 (0.34) TRPV1ABCB1SUV39H2CCNT1CDK9
SCHEMBL3692062 0.90 TRPV1 (0.34) TRPV1SCDSCD5CCNT1CDK9
SCHEMBL3690381 0.89 NAMPT (0.35) TRPV1SCDSCD5NAMPTHTT
SCHEMBL3686611 0.88 MAPT (0.40) TRPV1ABCB1SCDSCD5ALOX15
SCHEMBL3691190 0.87 SCD (0.37) TRPV1ABCB1SCDSCD5ALOX15
SCHEMBL3690179 0.86 SCD (0.39) TRPV1ABCB1SCDSCD5NAMPT
SCHEMBL3784628 0.85 TRPV1 (0.43) TRPV1SCDSCD5POLB
SCHEMBL3789695 0.85 P2RX7 (0.35) TRPV1P2RX7ABCB1SCDSCD5
SCHEMBL3686013 0.85 RBP4 (0.32) TRPV1SCDSCD5CCNT1CDK9
SCHEMBL13229222 0.85 NAMPT (0.32) TRPV1P2RX7SCDSCD5NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 TRPV1 1682/4885P2RX7 589/4885EGFR 2382/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 TRPV1 1682/4885P2RX7 589/4885EGFR 2382/4885

“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.