SCHEMBL4096671

SCHEMBL4096671

Cc1nnc(-c2nnc(N3CCC(Oc4ccccc4Br)CC3)s2)o1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.49
HRH3 Q9Y5N1 3/20 0.48
TP53 P04637 1/20 0.39

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
SCHEMBL4087574 0.85 SCD (0.60) SCD
SCHEMBL4093029 0.82 SCD (0.54) SCDHRH3
SCHEMBL4255462 0.78 SCD (0.68) SCD
SCHEMBL2951420 0.77 SCD (0.49) SCDHRH3TP53
SCHEMBL4094966 0.76 SCD (0.55) SCDHRH3TP53
SCHEMBL4097094 0.76 SCD (0.48) SCDTP53
SCHEMBL4417789 0.74 SCD (0.56) SCDHRH3
SCHEMBL4094873 0.72 SCD (0.53) SCDTP53
SCHEMBL4087704 0.72 SCD (0.67) SCD
SCHEMBL4094868 0.72 SCD (0.58) SCDTP53

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 4619/4885TP53 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.