SCHEMBL17769452

SCHEMBL17769452

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ GRM5 P41594 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ PTPN11 Q06124 1/20 0.36
▸ OPRK1 P41145 3/20 0.36

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
SCHEMBL17769756 0.89 TRPV1 (0.39) MEN1KMT2ANPC1RAB9ATRPV1
SCHEMBL17769352 0.87 OPRK1 (0.42) OPRK1
SCHEMBL17769757 0.87 OPRK1 (0.42) OPRK1
SCHEMBL17777041 0.87 MEN1 (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL17778339 0.86 MEN1 (0.38) MEN1KMT2AOPRK1
SCHEMBL17769478 0.84 GRM5 (0.42) MEN1KMT2ANPC1RAB9ATRPV1
SCHEMBL19736466 0.84 MALT1 (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL20550879 0.83 TRPV1 (0.39) MEN1KMT2ATRPV1GRM5PTPN11
SCHEMBL20550882 0.83 TRPV1 (0.39) MEN1KMT2ATRPV1GRM5PTPN11
SCHEMBL20550680 0.82 TRPV1 (0.40) MEN1KMT2ATRPV1GRM5PTPN11

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 MEN1 3209/4885KMT2A 1870/4885NPC1 3047/4885

“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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