SCHEMBL3605058

SCHEMBL3605058

CCOC(=O)c1cncc(-c2cnc(N3CCC(Oc4cc(F)ccc4Br)CC3)nn2)c1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 16/20 0.79
SCD5 Q86SK9 1/20 0.62
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43

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
SCHEMBL3609521 0.88 SCD (1.00) SCDSCD5
SCHEMBL3606321 0.88 SCD (0.80) SCDSCD5
SCHEMBL3611429 0.88 SCD (0.79) SCDSCD5DPP4DPP8DPP9
SCHEMBL3602572 0.85 SCD (0.78) SCDSCD5DPP4DPP8DPP9
SCHEMBL3602575 0.84 SCD (0.61) SCDSCD5DPP4DPP8DPP9
SCHEMBL3599258 0.83 SCD (0.54) SCDSCD5DPP4DPP8DPP9
SCHEMBL3602987 0.83 SCD (0.64) SCDSCD5
SCHEMBL3611139 0.80 SCD (0.79) SCDSCD5
SCHEMBL3610488 0.79 SCD (1.00) SCDSCD5
SCHEMBL3891301 0.77 SCD (0.55) SCDSCD5

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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 SCD 1/4885SCD5 2/4885DPP4 876/4885

“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.