SCHEMBL1394182

SCHEMBL1394182

CCOC(=O)Cn1nnc(-c2cnc(N3CC4CN(C(=O)OC(C)(C)C)CC4C3)s2)n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.50
USP30 Q70CQ3 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
ESR2 Q92731 1/20 0.37
PKM P14618 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL13189819 1.00 SCD (0.50) SCDUSP30NPSR1MAPTL3MBTL1
SCHEMBL3788852 0.90 SCD (0.47) SCDNPSR1MAPTL3MBTL1ALDH1A1
SCHEMBL1394818 0.89 SCD (0.55) SCDNPSR1MAPTL3MBTL1ALDH1A1
SCHEMBL10128646 0.87 SCD (0.57) SCDNPSR1MAPTL3MBTL1ALDH1A1
SCHEMBL10111886 0.84 SCD (0.52) SCDNPSR1MAPTL3MBTL1ALDH1A1
SCHEMBL16496938 0.79 SCD (0.51) SCDNPSR1MAPTL3MBTL1ALDH1A1
SCHEMBL16501433 0.78 SCD (0.50) SCDMAPTALDH1A1ESR2
SCHEMBL13257112 0.78 SCD (0.49) SCDNPSR1MAPTL3MBTL1ALDH1A1
SCHEMBL13261295 0.78 NPSR1 (0.48) SCDNPSR1MAPTL3MBTL1ALDH1A1
SCHEMBL13261349 0.76 SCD (0.46) SCDNPSR1MAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2012-01-12 US disclosed
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2012-01-12 US disclosed
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2012-01-12 US disclosed
WO-2010108268-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-09-30 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-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FASN SCD 1/4885USP30 4033/4885NPSR1 4140/4885

“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.