SCHEMBL1394129

SCHEMBL1394129

O=C(O)N1CC2CN(c3cc(F)ccc3Cl)CC2C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.48
SCD5 Q86SK9 3/20 0.48
NOTUM Q6P988 1/20 0.41
HCRTR1 O43613 13/20 0.41
HCRTR2 O43614 13/20 0.41
CYP1A2 P05177 1/20 0.41
RBP4 P02753 1/20 0.40

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
SCHEMBL20571732 0.82 ALDH1A3 (0.43) SCDSCD5NOTUMHCRTR1HCRTR2
SCHEMBL1395242 0.81 HDAC1 (0.49) SCDSCD5HCRTR1HCRTR2
SCHEMBL3708569 0.81 SCD5 (0.58) SCDSCD5
SCHEMBL25393015 0.80 HCRTR1 (0.51) HCRTR1HCRTR2CYP1A2
SCHEMBL25389498 0.80 HCRTR1 (0.51) HCRTR1HCRTR2CYP1A2
SCHEMBL1394565 0.77 SCD (0.48) SCDSCD5NOTUMCYP1A2
SCHEMBL3709763 0.76 SCD5 (0.54) SCDSCD5HCRTR2
SCHEMBL10112006 0.76 BPTF (0.42) SCDSCD5
SCHEMBL25389906 0.75 NOTUM (0.51) NOTUM
SCHEMBL25390551 0.75 NOTUM (0.51) NOTUM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2012-01-12 US disclosed
WO-2010108268-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-09-30 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-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FASN SCD 1/4885SCD5 2/4885NOTUM 211/4885

“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.