SCHEMBL2827798

SCHEMBL2827798

O=C(O)CNc1nc2cnc(N3CCC(Oc4cc(F)ccc4Br)CC3)nc2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCD O00767 16/20 0.71
SCD5 Q86SK9 1/20 0.44
GPR6 P46095 1/20 0.41

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
SCHEMBL3016296 0.90 SCD (0.59) SCDSCD5GPR6
SCHEMBL13213661 0.86 SCD (0.64) SCDSCD5
SCHEMBL2764346 0.85 SCD (0.63) SCDSCD5
SCHEMBL3020827 0.83 SCD (1.00) SCDSCD5GPR6
SCHEMBL3020618 0.82 SCD (0.62) SCDSCD5
SCHEMBL3023871 0.80 SCD (0.57) SCDSCD5
SCHEMBL3009215 0.79 SCD (0.62) SCDSCD5
SCHEMBL3019857 0.78 SCD (0.64) SCDSCD5
SCHEMBL13594752 0.78 SCD (0.73) SCDSCD5
SCHEMBL3028397 0.78 SCD (1.00) SCDSCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197692-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2010-08-05 US disclosed
US-20100197692-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2010-08-05 US disclosed
US-20100197692-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2010-08-05 US disclosed
EP-2178884-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2010-04-28 EP disclosed
WO-2009012573-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2009-01-29 WO disclosed
WO-2009012573-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2009-01-29 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-20100197692-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, CPT1A SCD 1/4885SCD5 2/4885GPR6 1825/4885

“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.