SCHEMBL4097100

SCHEMBL4097100

OCc1nc(-c2nnc(N3CCC(Oc4ccncc4Br)CC3)s2)no1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.50
HRH3 Q9Y5N1 2/20 0.37
IKBKB O14920 2/20 0.36
CNR2 P34972 1/20 0.35
GPR119 Q8TDV5 1/20 0.33
PDE10A Q9Y233 1/20 0.33
GLS O94925 1/20 0.33

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
SCHEMBL13870682 0.90 SCD (0.50) SCDHRH3CNR2GPR119GLS
SCHEMBL4417789 0.88 SCD (0.56) SCDHRH3GLS
SCHEMBL4086869 0.86 SCD (0.48) SCDHRH3IKBKB
SCHEMBL4102340 0.85 SCD (0.56) SCDHRH3CNR2
SCHEMBL4093392 0.84 SCD (0.64) SCD
SCHEMBL2950061 0.83 SCD (0.51) SCDHRH3GLS
SCHEMBL13870681 0.81 SCD (0.56) SCDHRH3
SCHEMBL13234964 0.80 SCD (0.50) SCDHRH3CNR2
SCHEMBL13234929 0.80 SCD (0.43) SCDHRH3GLS
SCHEMBL2946619 0.79 SCD (0.57) SCD

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 1/4885HRH3 4619/4885IKBKB 714/4885

“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.