SCHEMBL16775983

SCHEMBL16775983

C[C@@H]1CCNc2ccc(-c3cccc(C#N)c3)nc2N1C(=O)Nc1cncc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 1/20 0.39
▸ MLNR O43193 2/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CACNA1I Q9P0X4 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ RPS6KA2 Q15349 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ ELOVL1 Q9BW60 1/20 0.34

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
SCHEMBL16775982 0.90 CACNA1G (0.43) CACNA1GCACNA1HCACNA1IGRM5PRKDC
SCHEMBL16776261 0.88 ABL1 (0.37) GSK3B
SCHEMBL16775942 0.86 HDAC2 (0.37) HDAC2MLNRGSK3BMTORADORA2A
SCHEMBL16775989 0.86 RPS6KA3 (0.41) MLNRMTORADORA2APRKDCATR
SCHEMBL16775991 0.84 THRB (0.39) HDAC2MLNRMTORADORA2AGRM5
SCHEMBL16776017 0.84 GSK3B (0.38) GSK3BCACNA1GCACNA1HCACNA1IRPS6KA2
SCHEMBL19670174 0.83 HDAC2 (0.39) HDAC2MLNRMTORCACNA1GCACNA1H
SCHEMBL16775979 0.83 CREBBP (0.44) MTORATROPRM1OPRD1
SCHEMBL16775854 0.83 SLC5A1 (0.37) —
SCHEMBL16775992 0.83 GRM5 (0.40) HDAC2MLNRGSK3BMTORADORA2A

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 1 patent. 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

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 HDAC2 50/4885MLNR 3970/4885GSK3B 1728/4885

“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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