SCHEMBL4100789

SCHEMBL4100789

NC(=O)c1nnc(N2CCC(Oc3ccncc3Br)CC2)s1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.60
IKBKB O14920 2/20 0.45
GLS O94925 6/20 0.42

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
SCHEMBL4743748 0.89 SCD (0.48) SCDIKBKBGLS
SCHEMBL4094392 0.89 SCD (0.60) SCDIKBKBGLS
SCHEMBL4087727 0.80 SCD (0.41) SCDIKBKBGLS
SCHEMBL4267662 0.75 IKBKB (0.40) SCDIKBKB
SCHEMBL4086869 0.74 SCD (0.48) SCDIKBKB
SCHEMBL4097100 0.74 SCD (0.50) SCDIKBKBGLS
SCHEMBL4094868 0.74 SCD (0.58) SCDGLS
SCHEMBL4094863 0.74 SCD (0.58) SCDGLS
SCHEMBL4267664 0.73 IKBKB (0.40) SCDIKBKB
SCHEMBL22051458 0.72 IKBKB (0.50) IKBKB

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 1/4885IKBKB 714/4885GLS 834/4885

“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.