SCHEMBL3786867

SCHEMBL3786867

CCOc1cccnc1C1=CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.39
P2RX7 Q99572 2/20 0.34
CCNT1 O60563 1/20 0.32
CDK9 P50750 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
SCHEMBL3784628 0.90 TRPV1 (0.43) TRPV1
SCHEMBL3785420 0.90 TRPV1 (0.49) TRPV1
SCHEMBL3790581 0.89 TRPV1 (0.42) TRPV1
SCHEMBL3688467 0.89 TRPV1 (0.48) TRPV1
SCHEMBL3786081 0.86 TRPV1 (0.40) TRPV1
SCHEMBL3785426 0.86 TRPV1 (0.38) TRPV1
SCHEMBL3690381 0.85 NAMPT (0.35) TRPV1
SCHEMBL3687002 0.85 TRPV1 (0.34) TRPV1P2RX7CCNT1CDK9
SCHEMBL3695902 0.85 TRPV1 (0.37) TRPV1
SCHEMBL3784894 0.85 ALDH1A1 (0.37) TRPV1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US claimed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US 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 (1 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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 TRPV1 1682/4885P2RX7 589/4885CCNT1 1723/4885

“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.