SCHEMBL3786927

SCHEMBL3786927

Cn1cc(C2=CCN(C(=O)c3nc4c(C(F)(F)F)cc(-c5ccoc5)cn4c3Cl)CC2)cn1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2ccncc2F)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2ccoc2)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2ncccc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.38
NAMPT P43490 2/20 0.31
RET P07949 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
KDR P35968 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
SCHEMBL3688467 0.88 TRPV1 (0.48) TRPV1
SCHEMBL3697505 0.88 NAMPT (0.36) TRPV1NAMPTTYRO3MERTK
SCHEMBL3694143 0.86 NAMPT (0.33) TRPV1NAMPTTYRO3MERTKKDR
SCHEMBL3784628 0.83 TRPV1 (0.43) TRPV1
SCHEMBL3788136 0.82 TRPV1 (0.36) TRPV1
SCHEMBL3785420 0.82 TRPV1 (0.49) TRPV1
SCHEMBL3691704 0.82 SCD (0.39) TRPV1NAMPTTYRO3MERTK
SCHEMBL3790581 0.82 TRPV1 (0.42) TRPV1
SCHEMBL3695902 0.82 TRPV1 (0.37) TRPV1NAMPTTYRO3MERTK
SCHEMBL13261355 0.82 NAMPT (0.37) TRPV1NAMPTTYRO3MERTK

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 1 patent. 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 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 1682/4885NAMPT 65/4885RET 2188/4885

“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.