SCHEMBL4094399

SCHEMBL4094399

N#Cc1nnc(N2CCC(Oc3ccncc3N)CC2)s1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 5/20 0.39
SCD O00767 4/20 0.39
GLS O94925 7/20 0.38

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
SCHEMBL4687747 0.87 GPR6 (0.39) GPR6SCDGLS
SCHEMBL4087727 0.87 SCD (0.41) GPR6SCDGLS
SCHEMBL4087853 0.83 SCD (0.44) GPR6SCDGLS
SCHEMBL4094392 0.80 SCD (0.60) SCDGLS
SCHEMBL4097094 0.76 SCD (0.48) SCDGLS
SCHEMBL4087551 0.74 SCD (0.48) SCD
SCHEMBL473049 0.74 SCD (0.66) SCD
SCHEMBL473031 0.74 SCD (0.62) SCD
SCHEMBL31342868 0.72 IKBKB (0.40)
SCHEMBL22040965 0.72 IKBKB (0.40)

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 GPR6 2320/4885SCD 1/4885GLS 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.