SCHEMBL3607341

SCHEMBL3607341

CCOC(=O)c1cncc(-c2ccc(N3CC(O)C3)nn2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SCD O00767 5/20 0.46
SCD5 Q86SK9 1/20 0.44
PIK3CA P42336 1/20 0.39
PDE10A Q9Y233 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37

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
SCHEMBL3601603 0.91 SCD (0.54) CYP2C9CYP2C19SCDSCD5PIK3CA
SCHEMBL13547458 0.84 SCD (0.48) SCDSCD5MAPTNPC1RAB9A
SCHEMBL3604585 0.82 SCD (0.66) CYP2C9CYP2C19SCDSCD5
SCHEMBL3601128 0.78 SCD (0.79) SCDSCD5
SCHEMBL3611139 0.77 SCD (0.79) SCDSCD5
SCHEMBL3611428 0.77 SCD (0.58) SCDSCD5NPC1RAB9A
SCHEMBL3606321 0.76 SCD (0.80) SCDSCD5
SCHEMBL3605888 0.75 SCD (0.61) SCDSCD5
SCHEMBL3611311 0.74 SCD (0.49) CYP2C9CYP2C19SCDPIK3CANPC1
SCHEMBL3603338 0.74 SCD (0.51) CYP2C9CYP2C19SCDPIK3CAPDE10A

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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
WO-2008046226-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-04-24 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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 CYP2C9 592/4885CYP2C19 1227/4885SCD 1/4885

“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.