SCHEMBL3608752

SCHEMBL3608752

COC(=O)c1ccc(-c2cnc(N3CCC(Oc4cc(F)ccc4Br)CC3)c(C(=O)OC)c2)nc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.57
SCD5 Q86SK9 1/20 0.52
OPRK1 P41145 8/20 0.45
GPR6 P46095 1/20 0.43

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
SCHEMBL3607926 0.87 SCD (0.69) SCDSCD5
SCHEMBL3608747 0.87 SCD (0.67) SCDSCD5
SCHEMBL3601430 0.82 OPRK1 (0.50) OPRK1
SCHEMBL3607561 0.79 OPRK1 (0.45) OPRK1
SCHEMBL3607922 0.77 SCD (0.81) SCDSCD5
SCHEMBL3602575 0.77 SCD (0.61) SCDSCD5OPRK1
SCHEMBL3611006 0.76 SCD (0.78) SCDSCD5
SCHEMBL3606620 0.74 SCD (0.64) SCDSCD5
SCHEMBL4498412 0.74 SCD (0.61) SCDSCD5GPR6
SCHEMBL22712285 0.73 GPR6 (0.55) GPR6

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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
EP-2076509-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-07-08 EP disclosed
WO-2008046226-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-04-24 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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 SCD 1/4885SCD5 2/4885OPRK1 1984/4885

“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.