SCHEMBL12836772

SCHEMBL12836772

O=c1[nH]ccc2nc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)sc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCD O00767 16/20 1.00

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
SCHEMBL14552944 0.85 SCD (0.74) SCD
SCHEMBL13633490 0.85 SCD (1.00) SCD
SCHEMBL13638394 0.84 SCD (0.73) SCD
SCHEMBL13633435 0.81 SCD (0.74) SCD
SCHEMBL3339785 0.80 SCD (1.00) SCD
SCHEMBL4515605 0.78 SCD (1.00) SCD
SCHEMBL3339559 0.78 SCD (0.84) SCD
SCHEMBL3336680 0.77 SCD (0.70) SCD
SCHEMBL4507149 0.76 SCD (0.80) SCD
SCHEMBL3337219 0.76 SCD (0.75) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012709-A1 NOVEL INHIBITORS OF STEAROYL-CoA-DESATURASE-1 AND THEIR USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-01-10 US disclosed
WO-2011030312-A1 NOVEL INHIBITORS OF STEAROYL-CoA-DESATURASE-1 AND THEIR USES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-03-17 WO disclosed
US-20090291955-A1 Azacyclohexane Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-11-26 US disclosed
US-20090291955-A1 Azacyclohexane Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-11-26 US disclosed
WO-2007056846-A1 AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2007-05-24 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 (2 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-20090291955-A1 Azacyclohexane Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase SCD, SCD5, SREBF1 SCD 1/4885
US-20130012709-A1 NOVEL INHIBITORS OF STEAROYL-CoA-DESATURASE-1 AND THEIR USES SCD, SCD5, FADS2 SCD 1/4885

“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.