SCHEMBL19714112

SCHEMBL19714112

CC(NC(=O)c1ccc2c(n1)N(C(=O)Nc1ccc(F)cn1)[C@H]1CCN2C1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.35
▸ GRM5 P41594 5/20 0.34
▸ DEGS1 O15121 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ HTR1F P30939 1/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ NTRK1 P04629 2/20 0.33
▸ SCD O00767 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
SCHEMBL17770309 1.00 CNR2 (0.35) CNR2GRM5DEGS1AXLHTR1F
SCHEMBL19714110 1.00 CNR2 (0.35) CNR2GRM5DEGS1AXLHTR1F
SCHEMBL17770303 1.00 CNR2 (0.35) CNR2GRM5DEGS1AXLHTR1F
SCHEMBL17769922 0.92 KMT2A (0.37) CNR2AXL
SCHEMBL17769927 0.92 KMT2A (0.37) CNR2AXL
SCHEMBL19714090 0.90 GRM5 (0.35) CNR2GRM5DEGS1HTR1FNTRK1
SCHEMBL17770445 0.90 GRM5 (0.35) CNR2GRM5DEGS1HTR1FNTRK1
SCHEMBL19714089 0.90 GRM5 (0.35) CNR2GRM5DEGS1HTR1FNTRK1
SCHEMBL17770440 0.90 GRM5 (0.35) CNR2GRM5DEGS1HTR1FNTRK1
SCHEMBL17769874 0.90 CNR2 (0.37) CNR2GRM5DEGS1HTR1F

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 3062/4885GRM5 3991/4885DEGS1 4276/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 3062/4885GRM5 3991/4885DEGS1 4276/4885

“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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