SCHEMBL10197664

SCHEMBL10197664

CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)Nc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.53
NAMPT P43490 4/20 0.52
UCHL1 P09936 1/20 0.50
PTPN11 Q06124 1/20 0.50
MAPK1 P28482 1/20 0.48
SCN9A Q15858 1/20 0.48
ESR2 Q92731 1/20 0.46
KDR P35968 1/20 0.46
NR1H2 P55055 1/20 0.46
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.44
ABHD6 Q9BV23 1/20 0.43
BCL2 P10415 1/20 0.43
MAP3K5 Q99683 1/20 0.42

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
SCHEMBL1857142 0.85 UCHL1 (0.53) NAMPTUCHL1MAPK1SCN9AESR2
SCHEMBL30647075 0.85 UCHL1 (0.53) NAMPTUCHL1MAPK1SCN9AESR2
SCHEMBL21807308 0.83 UCHL1 (0.54) NAMPTUCHL1MAPK1SCN9AESR2
SCHEMBL3311063 0.83 CXCR5 (0.57) UCHL1MAPK1
SCHEMBL4787883 0.82 NR1H2 (0.54) NAMPTUCHL1MAPK1SCN9AESR2
SCHEMBL24628884 0.80 ESR2 (0.55) NAMPTPTPN11MAPK1ESR2NR1H2
SCHEMBL2122847 0.80 MAPK1 (0.50) NAMPTUCHL1MAPK1SCN9AESR2
SCHEMBL12312048 0.78 NR1H2 (0.50) NAMPTUCHL1MAPK1SCN9AESR2
SCHEMBL1958196 0.78 ESR2 (0.59) NAMPTUCHL1MAPK1SCN9AESR2
SCHEMBL11997414 0.78 ESR2 (0.55) NAMPTUCHL1MAPK1SCN9AESR2

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
US-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 US disclosed
US-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 US disclosed
WO-2010107768-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-09-23 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 (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-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT CARM1 4051/4885NAMPT 178/4885UCHL1 3297/4885

“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.