SCHEMBL17768071

SCHEMBL17768071

O=C(Nc1cccc(OCCCO)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 1/20 0.40
▸ KIF18A Q8NI77 8/20 0.36
▸ LIPG Q9Y5X9 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ FFAR4 Q5NUL3 3/20 0.35
▸ KIT P10721 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ PHGDH O43175 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ IDH2 P48735 2/20 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
SCHEMBL19706665 1.00 GPR52 (0.40) GPR52KIF18ALIPGCA2CA9
SCHEMBL19689668 0.97 GPR52 (0.41) GPR52KIF18ALIPGCA2CA9
SCHEMBL19689650 0.92 GPR52 (0.35) GPR52LIPGCA2CA9RPS6KB1
SCHEMBL17768032 0.91 KIF18A (0.40) GPR52KIF18ACA2CA9FFAR4
SCHEMBL19689682 0.90 CA2 (0.37) GPR52KIF18ALIPGCA2CA9
SCHEMBL19706916 0.90 CA2 (0.37) GPR52KIF18ALIPGCA2CA9
SCHEMBL17624524 0.89 KIF18A (0.36) GPR52KIF18ACA2CA9FFAR4
SCHEMBL17778738 0.89 LIPG (0.36) GPR52LIPGCA2CA9RPS6KB1
SCHEMBL17768001 0.88 ALDH1A1 (0.36) GPR52KIF18ARPS6KB1PHGDHKCNH2
SCHEMBL17768090 0.87 RPS6KB1 (0.34) GPR52KIF18ALIPGCA2CA9

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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
EP-3221316-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079709-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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GPR52 3910/4885KIF18A 3170/4885LIPG 441/4885

“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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