SCHEMBL16775908

SCHEMBL16775908

COc1cc(NC(=O)N2c3nc(-c4cccc(Cl)c4)ccc3NCC[C@H]2C)ncn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.39
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1E P49674 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ RPS6KA2 Q15349 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ GRM5 P41594 2/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ CNR2 P34972 3/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ STK4 Q13043 2/20 0.34
▸ STK3 Q13188 2/20 0.34
▸ LRRK2 Q5S007 2/20 0.34
▸ GSK3B P49841 2/20 0.33
▸ PDK1 Q15118 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
SCHEMBL16776041 0.88 FAAH (0.40) FAAHCSNK1DCSNK1EFGFR4CYP2C9
SCHEMBL16776028 0.87 FGFR4 (0.38) FAAHFGFR4CYP2C9ALOX5APKCNH2
SCHEMBL16776032 0.86 KCNH2 (0.41) FAAHCSNK1DCSNK1EFGFR4CYP2C9
SCHEMBL16776037 0.85 FGFR4 (0.37) FAAHCSNK1DCSNK1EFGFR4CYP2C9
SCHEMBL16776045 0.85 RPS6KA2 (0.38) FAAHCSNK1DCSNK1EFGFR4CYP2C9
SCHEMBL16776127 0.85 RPS6KA2 (0.38) FAAHCSNK1DCSNK1EFGFR4CYP2C9
SCHEMBL16776177 0.84 RPS6KA2 (0.40) FAAHCSNK1DCSNK1EFGFR4CYP2C9
SCHEMBL16776258 0.84 CYP2C9 (0.38) FAAHCSNK1DCSNK1EFGFR4CYP2C9
SCHEMBL16775907 0.84 PHGDH (0.39) GRM5CNR2
SCHEMBL16775904 0.84 GRM5 (0.42) FAAHGRM5CNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 (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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885CSNK1D 4056/4885CSNK1E 4123/4885

“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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