SCHEMBL17769754

SCHEMBL17769754

O=C(Nc1cc(OC[C@H](O)CO)ccn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ncc2N2CC[C@H]1C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPT2 P23786 2/20 0.36
▸ CPT1A P50416 2/20 0.36
▸ CPT1B Q92523 1/20 0.36
▸ KDR P35968 7/20 0.35
▸ BRAF P15056 5/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ PRMT5 O14744 2/20 0.34
▸ WDR77 Q9BQA1 2/20 0.34
▸ RPS6KB1 P23443 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL20550416 1.00 CPT2 (0.36) CPT2CPT1ACPT1BKDRBRAF
SCHEMBL20550417 1.00 CPT2 (0.36) CPT2CPT1ACPT1BKDRBRAF
SCHEMBL17769401 0.96 CPT2 (0.37) CPT2CPT1ACPT1BKDRBRAF
SCHEMBL17769483 0.96 CPT2 (0.37) CPT2CPT1ACPT1BKDRBRAF
SCHEMBL17769487 0.96 CPT2 (0.37) CPT2CPT1ACPT1BKDRBRAF
SCHEMBL17778450 0.95 PRMT5 (0.32) CPT2CPT1ACPT1BKDRBRAF
SCHEMBL20550364 0.91 TRPV1 (0.35) CPT2CPT1ACPT1BKDRSCN1A
SCHEMBL17769667 0.91 TRPV1 (0.35) CPT2CPT1ACPT1BKDRSCN1A
SCHEMBL17769718 0.91 TRPV1 (0.35) CPT2CPT1ACPT1BKDRSCN1A
SCHEMBL17769670 0.91 TRPV1 (0.35) CPT2CPT1ACPT1BKDRSCN1A

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 CPT2 84/4885CPT1A 164/4885CPT1B 79/4885

“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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