SCHEMBL16501433

SCHEMBL16501433

CC(=O)Cn1nnc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)n1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
ESR2 Q92731 1/20 0.49
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 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
SCHEMBL3788852 0.89 SCD (0.47) SCDALDH1A1MAPTESR2CKS1B
SCHEMBL16501435 0.84 ALDH1A1 (0.48) SCDALDH1A1MAPTESR2
SCHEMBL16501428 0.83 MAPT (0.53) ALDH1A1MAPTESR2CKS1BSKP1
SCHEMBL16501442 0.80 ALDH1A1 (0.49) ALDH1A1MAPTESR2CKS1BSKP1
SCHEMBL16501429 0.80 SCD (0.51) SCD
SCHEMBL1199487 0.80 GPR119 (0.49) MAPTCKS1BSKP1SKP2
SCHEMBL22160465 0.79 GPR119 (0.48) ALDH1A1MAPTCKS1BSKP1SKP2
SCHEMBL13189819 0.78 SCD (0.50) SCDALDH1A1MAPTESR2
SCHEMBL1394182 0.78 SCD (0.50) SCDALDH1A1MAPTESR2
SCHEMBL13261647 0.78 CKS1B (0.41) ALDH1A1MAPTCKS1BSKP1SKP2

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-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2011-12-08 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-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, COASY SCD 1/4885ALDH1A1 1696/4885MAPT 3518/4885

“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.