SCHEMBL17769370

SCHEMBL17769370

O=C(O)c1ccc2c(n1)N(C(=O)Nc1ccccn1)[C@H]1CCCN2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.42
▸ DGAT2 Q96PD7 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ BTK Q06187 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KDM4A O75164 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ CCNB2 O95067 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ CDK1 P06493 1/20 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
SCHEMBL17775617 0.94 TRPV1 (0.39) GRM5TRPV1FAAHFGFR4MEN1
SCHEMBL16754464 0.94 TRPV1 (0.39) GRM5TRPV1FAAHFGFR4MEN1
SCHEMBL17769611 0.90 GRM5 (0.38) GRM5DGAT2TRPV1FGFR4MEN1
SCHEMBL17769702 0.89 GRM5 (0.40) GRM5DGAT2TRPV1MEN1KMT2A
SCHEMBL20720999 0.89 GRM5 (0.40) GRM5DGAT2TRPV1MEN1KMT2A
SCHEMBL19706201 0.87 DGAT2 (0.45) GRM5DGAT2TRPV1FAAHFGFR4
SCHEMBL17769478 0.86 GRM5 (0.42) GRM5DGAT2TRPV1FAAHFGFR4
SCHEMBL17777056 0.86 MEN1 (0.41) GRM5TRPV1FAAHFGFR4MEN1
SCHEMBL17777113 0.86 MEN1 (0.41) GRM5TRPV1FAAHFGFR4MEN1
SCHEMBL17769418 0.86 CHEK1 (0.37) KMT2ABTKMAP3K12

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
EP-3221322-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079711-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
WO-2016079711-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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GRM5 3991/4885DGAT2 1326/4885TRPV1 3814/4885

“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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