SCHEMBL4102340

SCHEMBL4102340

OCc1nc(-c2nnc(N3CCC(Oc4ccc(F)cc4Br)CC3)s2)no1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.56
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
SCD5 Q86SK9 1/20 0.36

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
SCHEMBL13234964 0.95 SCD (0.50) SCDCNR1CNR2HRH3SCD5
SCHEMBL4093392 0.94 SCD (0.64) SCDSCD5
SCHEMBL13870688 0.90 SCD (0.51) SCDCNR1CNR2HRH3
SCHEMBL4417789 0.89 SCD (0.56) SCDHRH3
SCHEMBL2946619 0.89 SCD (0.57) SCDSCD5
SCHEMBL13870687 0.89 SCD (0.52) SCDCNR1CNR2HRH3
SCHEMBL4099930 0.87 SCD (0.58) SCDHRH3
SCHEMBL4097100 0.85 SCD (0.50) SCDCNR2HRH3
SCHEMBL13234929 0.85 SCD (0.43) SCDHRH3
SCHEMBL2950061 0.84 SCD (0.51) SCDHRH3

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
US-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-16 US disclosed
US-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-16 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-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase SCD, SCD5, SREBF1 SCD 1/4885CNR1 481/4885CNR2 884/4885

“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.