SCHEMBL20550879

SCHEMBL20550879

C[C@@H](NC(=O)c1ncc2c(n1)N(C(=O)Nc1ccccn1)[C@H]1CCN2C1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.39
▸ AXL P30530 7/20 0.37
▸ GRM5 P41594 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ITGB3 P05106 4/20 0.35
▸ ITGB1 P05556 4/20 0.35
▸ ITGAV P06756 4/20 0.35
▸ ITGA5 P08648 4/20 0.35
▸ ITGB5 P18084 4/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ MAP3K5 Q99683 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ VCP P55072 1/20 0.34

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
SCHEMBL20550882 1.00 TRPV1 (0.39) TRPV1AXLGRM5MEN1KMT2A
SCHEMBL17769682 0.95 TRPV1 (0.38) TRPV1AXLGRM5MEN1KMT2A
SCHEMBL17769686 0.95 TRPV1 (0.38) TRPV1AXLGRM5MEN1KMT2A
SCHEMBL17769549 0.89 AXL (0.34) AXL
SCHEMBL17769550 0.89 AXL (0.34) AXL
SCHEMBL17777088 0.89 TRPV1 (0.39) TRPV1AXLMEN1KMT2A
SCHEMBL19714570 0.89 TRPV1 (0.39) TRPV1AXLMEN1KMT2A
SCHEMBL19714404 0.89 TRPV1 (0.39) TRPV1AXLMEN1KMT2A
SCHEMBL19714221 0.86 TRPV1 (0.37) TRPV1AXLGRM5TRPM8
SCHEMBL19714137 0.86 TRPV1 (0.37) TRPV1AXLGRM5TRPM8

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-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-11-08 — — 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-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 3814/4885AXL 542/4885GRM5 3991/4885

“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.

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