SCHEMBL17778436

SCHEMBL17778436

O=C(Nc1nc2ccc(F)cc2s1)N1c2nc(-c3cccc(C(F)(F)F)c3)ncc2N2CC[C@H]1C2

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 16/20 0.43
▸ CSNK1D P48730 1/20 0.40
▸ LRRK2 Q5S007 2/20 0.40
▸ P2RY1 P47900 1/20 0.40

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
SCHEMBL17778878 0.88 TRPV1 (0.42) TRPV1CSNK1DLRRK2P2RY1
SCHEMBL20550479 0.81 ALDH1A1 (0.42) —
SCHEMBL17618415 0.81 USP2 (0.41) TRPV1CSNK1DLRRK2
SCHEMBL17778498 0.81 PHGDH (0.41) TRPV1
SCHEMBL17778371 0.79 ALDH1A1 (0.45) —
SCHEMBL17778466 0.79 DPP4 (0.41) TRPV1
SCHEMBL17769444 0.79 DPP4 (0.41) TRPV1
SCHEMBL20550603 0.79 ALDH1A1 (0.47) —
SCHEMBL17769661 0.79 IRAK4 (0.39) —
SCHEMBL17778500 0.79 HTR2C (0.46) —

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 2 patents. 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
WO-2016079712-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — 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 (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 3814/4885CSNK1D 3167/4885LRRK2 649/4885

“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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