SCHEMBL17768267

SCHEMBL17768267

O=C(Nc1ccnc(OCCOC2CCCCO2)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ LPL P06858 2/20 0.33
▸ LIPC P11150 2/20 0.33
▸ LIPG Q9Y5X9 2/20 0.33
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ RPS6KB1 P23443 2/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ KMO O15229 1/20 0.32
▸ CPT2 P23786 1/20 0.32
▸ CPT1A P50416 1/20 0.32
▸ CPT1B Q92523 1/20 0.32
▸ RAF1 P04049 3/20 0.32
▸ BRAF P15056 3/20 0.32
▸ USP30 Q70CQ3 2/20 0.32
▸ MAP3K12 Q12852 1/20 0.32
▸ NPY2R P49146 1/20 0.31
▸ IDH2 P48735 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31

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
SCHEMBL17778754 0.91 RPS6KB1 (0.34) CA2CA9LPLLIPCLIPG
SCHEMBL17768090 0.91 RPS6KB1 (0.34) CA2CA9LPLLIPCLIPG
SCHEMBL17778687 0.90 NPY2R (0.33) GRIN1GRIN2BRPS6KB1CPT2CPT1A
SCHEMBL17768269 0.90 NPY2R (0.33) GRIN1GRIN2BRPS6KB1CPT2CPT1A
SCHEMBL17778753 0.89 GRIN1 (0.33) CA2CA9LPLLIPCLIPG
SCHEMBL17768177 0.89 GRIN1 (0.33) CA2CA9LPLLIPCLIPG
SCHEMBL19689750 0.89 CA2 (0.38) CA2CA9LPLLIPCLIPG
SCHEMBL19689682 0.88 CA2 (0.37) CA2CA9LPLLIPCLIPG
SCHEMBL19706916 0.88 CA2 (0.37) CA2CA9LPLLIPCLIPG
SCHEMBL19699685 0.87 CA2 (0.37) CA2CA9LPLLIPCLIPG

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 6 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
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 CA2 4293/4885CA9 4132/4885LPL 3124/4885

“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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