SCHEMBL19713781

SCHEMBL19713781

CC(NC(=O)c1ccc2c(n1)N(C(=O)Nc1cnccn1)[C@H]1CCN2C1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.38
▸ AXL P30530 5/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ FAAH O00519 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL19713778 1.00 CNR2 (0.38) CNR2AXLCNR1MAPTFAAH
SCHEMBL19736459 0.91 CNR2 (0.36) CNR2FAAHNPC1RAB9A
SCHEMBL19714404 0.89 TRPV1 (0.39) CNR2AXLCNR1NPC1TP53
SCHEMBL17777088 0.89 TRPV1 (0.39) CNR2AXLCNR1NPC1TP53
SCHEMBL19714570 0.89 TRPV1 (0.39) CNR2AXLCNR1NPC1TP53
SCHEMBL19728758 0.89 CNR2 (0.36) CNR2AXLCNR1MAPTFAAH
SCHEMBL19713995 0.89 CNR2 (0.36) CNR2AXLCNR1MAPTFAAH
SCHEMBL19713999 0.89 CNR2 (0.36) CNR2AXLCNR1MAPTFAAH
SCHEMBL19714197 0.89 CNR2 (0.35) CNR2AXLCNR1FAAH
SCHEMBL17770432 0.89 CNR2 (0.35) CNR2AXLCNR1FAAH

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
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

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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