SCHEMBL4094966

SCHEMBL4094966

Brc1ccccc1OC1CCN(c2nnc(-c3nnn[nH]3)s2)CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.55
HRH3 Q9Y5N1 3/20 0.39
TP53 P04637 1/20 0.35
GLS O94925 1/20 0.35

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
SCHEMBL2946892 0.78 SCD (0.71) SCDHRH3GLS
SCHEMBL4096671 0.76 SCD (0.49) SCDHRH3TP53
SCHEMBL4094873 0.75 SCD (0.53) SCDTP53GLS
SCHEMBL4097094 0.75 SCD (0.48) SCDTP53GLS
SCHEMBL4093029 0.75 SCD (0.54) SCDHRH3
SCHEMBL4417789 0.73 SCD (0.56) SCDHRH3GLS
SCHEMBL4094863 0.72 SCD (0.58) SCDTP53GLS
SCHEMBL4094868 0.72 SCD (0.58) SCDTP53GLS
SCHEMBL2951420 0.71 SCD (0.49) SCDHRH3TP53
SCHEMBL2943311 0.71 SCD (0.42) SCDTP53GLS

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-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-16 US disclosed
EP-1902051-A1 AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2008-03-26 EP disclosed
WO-2006130986-A1 AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2006-12-14 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-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase SCD, SCD5, SREBF1 SCD 1/4885HRH3 4619/4885TP53 4839/4885

“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.