SCHEMBL17777111

SCHEMBL17777111

CC[C@@H](C)NC(=O)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CCR2 P41597 1/20 0.38
▸ TRPV4 Q9HBA0 6/20 0.38
▸ IDH2 P48735 3/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ CTSK P43235 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TACR2 P21452 1/20 0.37
▸ TACR3 P29371 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TRPV3 Q8NET8 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL19714083 1.00 CNR2 (0.39) CNR2CNR1CCR2TRPV4IDH2
SCHEMBL17618383 0.92 CNR2 (0.41) CNR2CNR1TRPV4IDH2KCNH2
SCHEMBL19689756 0.88 KMT2A (0.41) CNR2CNR1IDH2KMT2ATSHR
Hydrochloric Acid SCHEMBL19689854 0.87 KMT2A (0.40) CNR2CNR1IDH2KMT2ATSHR
SCHEMBL19689772 0.87 CNR2 (0.43) CNR2CNR1IDH2KMT2ATSHR
SCHEMBL17768260 0.87 KMT2A (0.40) CNR2CNR1IDH2KMT2ATSHR
SCHEMBL17778800 0.85 CSNK1E (0.41) CNR2CNR1TRPV4IDH2KMT2A
SCHEMBL16238261 0.85 KMT2A (0.39) CNR2CNR1TRPV4IDH2KMT2A
SCHEMBL17778668 0.85 IDH2 (0.38) CNR2CNR1TRPV4IDH2KMT2A
SCHEMBL17618384 0.85 USP2 (0.40) CNR2CNR1CCR2IDH2KCNH2

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
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
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US 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 3062/4885CNR1 3100/4885CCR2 4334/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 3062/4885CNR1 3100/4885CCR2 4334/4885

“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.

Send feedback