SCHEMBL3786649

SCHEMBL3786649

O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2cc(F)ccn2)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.35
SCD5 Q86SK9 2/20 0.35
TRPV1 Q8NER1 10/20 0.33
P2RX7 Q99572 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
NAMPT P43490 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
GRM5 P41594 1/20 0.30
GRM1 Q13255 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
SCHEMBL3784894 0.91 ALDH1A1 (0.37) SCDSCD5TRPV1P2RX7NAMPT
SCHEMBL3689929 0.90 ALDH1A1 (0.34) SCDSCD5TRPV1EGLN1NAMPT
SCHEMBL3691190 0.90 SCD (0.37) SCDSCD5TRPV1NAMPTLMNA
SCHEMBL3690381 0.90 NAMPT (0.35) SCDSCD5TRPV1EGLN1NAMPT
SCHEMBL3690179 0.89 SCD (0.39) SCDSCD5TRPV1NAMPTLMNA
SCHEMBL3789695 0.88 P2RX7 (0.35) SCDSCD5TRPV1P2RX7NAMPT
SCHEMBL3686611 0.88 MAPT (0.40) SCDSCD5TRPV1EGLN1NAMPT
SCHEMBL3693213 0.87 P2RX7 (0.35) SCDSCD5TRPV1P2RX7NAMPT
SCHEMBL3693369 0.87 TRPV1 (0.32) SCDSCD5TRPV1
SCHEMBL3688467 0.87 TRPV1 (0.48) SCDSCD5TRPV1GRM5GRM1

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 5 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
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 SCD 1226/4885SCD5 2314/4885TRPV1 1682/4885

“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.