SCHEMBL17770047

SCHEMBL17770047

CC(NC(=O)c1ccc2c(n1)N[C@H]1CCN2C1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.37
▸ AXL P30530 8/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ PDE2A O00408 2/20 0.35

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
SCHEMBL17776462 1.00 CNR2 (0.37) CNR2AXLCNR1PDE2A
SCHEMBL17770046 1.00 CNR2 (0.37) CNR2AXLCNR1PDE2A
SCHEMBL17769426 0.94 CNR2 (0.40) CNR2AXLCNR1PDE2A
SCHEMBL17769423 0.94 CNR2 (0.40) CNR2AXLCNR1PDE2A
SCHEMBL19736161 0.88 CNR2 (0.44) CNR2CNR1
SCHEMBL19736318 0.88 CNR2 (0.44) CNR2CNR1
SCHEMBL20733284 0.83 CNR2 (0.46) CNR2CNR1
SCHEMBL17776449 0.82 PDE2A (0.35) AXLPDE2A
SCHEMBL17770070 0.82 PDE2A (0.35) AXLPDE2A
SCHEMBL17770066 0.82 PDE2A (0.35) AXLPDE2A

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
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
US-10072011-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2018-09-11 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
EP-3221317-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079710-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 (2 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-10072011-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CNR2 3062/4885AXL 542/4885CNR1 3100/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 3062/4885AXL 542/4885CNR1 3100/4885

“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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