SCHEMBL3686013

SCHEMBL3686013

N#Cc1cccc(F)c1C1=CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
SCD O00767 1/20 0.32
SCD5 Q86SK9 1/20 0.32
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL3692062 0.94 TRPV1 (0.34) RBP4CCNT1CDK9TRPV1SCD
SCHEMBL3700674 0.91 SCD (0.31) TRPV1SCDSCD5
SCHEMBL3692634 0.90 SCD5 (0.37) CCNT1CDK9TRPV1SCDSCD5
SCHEMBL3691527 0.90 SCD (0.34) RBP4CCNT1CDK9TRPV1SCD
SCHEMBL3786081 0.88 TRPV1 (0.40) TRPV1
SCHEMBL3696500 0.88 SCD (0.39) RBP4CCNT1CDK9TRPV1SCD
SCHEMBL3708797 0.88 SCD (0.41) RBP4CCNT1CDK9TRPV1SCD
SCHEMBL3691704 0.87 SCD (0.39) CCNT1CDK9TRPV1SCDSCD5
SCHEMBL3690381 0.87 NAMPT (0.35) TRPV1SCDSCD5RIPK1
SCHEMBL3686611 0.86 MAPT (0.40) TRPV1SCDSCD5

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 RBP4 1868/4885CCNT1 1723/4885CDK9 1798/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 RBP4 1868/4885CCNT1 1723/4885CDK9 1798/4885

“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.