SCHEMBL3603338

SCHEMBL3603338

CCOC(=O)c1cncc(-c2ccc(N3CCC(O)CC3)nc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.51
HRH3 Q9Y5N1 1/20 0.48
RET P07949 2/20 0.46
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
P2RY12 Q9H244 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CPT2 P23786 1/20 0.44
CPT1A P50416 1/20 0.44
PIK3CA P42336 1/20 0.43
PDE5A O76074 1/20 0.43
OGA O60502 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CLK2 P49760 2/20 0.41
CLK3 P49761 2/20 0.41
DYRK1A Q13627 2/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL3611311 0.85 SCD (0.49) SCDHRH3RETDPP4DPP8
SCHEMBL3601603 0.84 SCD (0.54) SCDHRH3DPP4DPP8DPP9
SCHEMBL3603342 0.83 OPRK1 (0.51) DPP4DPP8DPP9DPP7P2RY12
SCHEMBL3602572 0.83 SCD (0.78) SCDHRH3DPP4DPP8DPP9
SCHEMBL3596377 0.81 SCD (0.57) SCD
SCHEMBL10194526 0.80 HRH3 (0.58) HRH3P2RY12PIK3CAPDE5AOGA
SCHEMBL3608320 0.76 CYP2C9 (0.43) HRH3DPP4DPP8DPP9DPP7
SCHEMBL15830643 0.76 CYP2C9 (0.54) DPP4DPP8DPP9DPP7CYP2C9
SCHEMBL3607341 0.74 CYP2C9 (0.47) SCDDPP4DPP8DPP9DPP7
SCHEMBL3608540 0.74 AOC3 (0.58)

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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
EP-2076509-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-07-08 EP 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 SCD 1/4885HRH3 4665/4885RET 4494/4885

“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.