SCHEMBL17768032

SCHEMBL17768032

CC(C)(O)CCOc1cccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIF18A Q8NI77 8/20 0.40
▸ GPR52 Q9Y2T5 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ PHGDH O43175 2/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SORT1 Q99523 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ KIT P10721 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
SCHEMBL19689668 0.92 GPR52 (0.41) KIF18AGPR52FFAR4PHGDHCA2
SCHEMBL17768071 0.91 GPR52 (0.40) KIF18AGPR52FFAR4PHGDHCA2
SCHEMBL19706665 0.91 GPR52 (0.40) KIF18AGPR52FFAR4PHGDHCA2
SCHEMBL19706656 0.90 CA2 (0.36) KIF18ACNR1CNR2NPY2RKDM1A
SCHEMBL17768179 0.90 CA2 (0.36) KIF18ACNR1CNR2NPY2RKDM1A
SCHEMBL19699707 0.90 KIF18A (0.39) KIF18AFFAR4RPS6KB1AKT1
SCHEMBL17768197 0.89 KIF18A (0.39) KIF18AFFAR4PHGDHNPY2RALDH1A1
SCHEMBL17778745 0.87 KIF18A (0.38) KIF18AGPR52FFAR4PHGDHCNR1
SCHEMBL19699685 0.86 CA2 (0.37) KIF18ACNR1CNR2NPY2RKDM1A
SCHEMBL17624524 0.86 KIF18A (0.36) KIF18AGPR52FFAR4PHGDHKDM1A

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 KIF18A 3170/4885GPR52 3910/4885FFAR4 2379/4885

“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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