SCHEMBL17769604

SCHEMBL17769604

O=C(Nc1cnc(OCC(O)CO)nc1)N1c2nc(-c3cccc(C(F)(F)F)c3)ncc2N2CCC[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KIF11 P52732 1/20 0.35
▸ IDH2 P48735 1/20 0.35
▸ RAF1 P04049 7/20 0.35
▸ BRAF P15056 7/20 0.35
▸ KCNJ6 P48051 1/20 0.34
▸ KCNJ5 P48544 1/20 0.34
▸ KCNJ3 P48549 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL17769599 1.00 TRPV1 (0.37) TRPV1LMNAKDM4EUSP2ALOX15
SCHEMBL17778374 1.00 TRPV1 (0.37) TRPV1LMNAKDM4EUSP2ALOX15
SCHEMBL20550375 0.96 KDM4E (0.36) TRPV1LMNAKDM4ERAF1BRAF
SCHEMBL20550376 0.96 KDM4E (0.36) TRPV1LMNAKDM4ERAF1BRAF
SCHEMBL20550561 0.96 KDM4E (0.36) TRPV1LMNAKDM4ERAF1BRAF
SCHEMBL20550390 0.92 HTR2A (0.38) TRPV1LMNAKDM4EUSP2ALOX15
SCHEMBL17778327 0.92 HTR2A (0.38) TRPV1LMNAKDM4EUSP2ALOX15
SCHEMBL17769442 0.92 HTR2A (0.38) TRPV1LMNAKDM4EUSP2ALOX15
SCHEMBL20550497 0.91 SCN10A (0.36) TRPV1LMNAKDM4EUSP2ALOX15
SCHEMBL17769809 0.91 SCN10A (0.36) TRPV1LMNAKDM4EUSP2ALOX15

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 3 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
EP-3220918-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP 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 3814/4885LMNA 3512/4885KDM4E 1291/4885

“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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