SCHEMBL2946945

SCHEMBL2946945

Fc1ccc(O[C@H]2CCN(c3nnc(-c4nn[nH]n4)s3)C2)c(Br)c1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.78
LIPG Q9Y5X9 1/20 0.47
GRIK1 P39086 2/20 0.36
GRIA2 P42262 2/20 0.36
HRH3 Q9Y5N1 2/20 0.35
SCD5 Q86SK9 1/20 0.35

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
SCHEMBL2951628 0.94 SCD (0.89) SCDLIPGSCD5
SCHEMBL2946892 0.89 SCD (0.71) SCDLIPGHRH3
SCHEMBL473046 0.88 SCD (1.00) SCDLIPGSCD5
SCHEMBL2949531 0.81 SCD (0.52) SCD
SCHEMBL2949475 0.80 SCD (0.60) SCDLIPG
SCHEMBL13234964 0.79 SCD (0.50) SCDHRH3SCD5
SCHEMBL4099930 0.75 SCD (0.58) SCDHRH3
SCHEMBL13870679 0.75 SCD (0.68) SCDHRH3
SCHEMBL2940781 0.75 SCD (0.60) SCDSCD5
SCHEMBL473002 0.74 SCD (0.67) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754745-B2 Azacyclopentane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2010-07-13 US disclosed
US-7754745-B2 Azacyclopentane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2010-07-13 US disclosed
US-7754745-B2 Azacyclopentane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2010-07-13 US disclosed
US-20090093527-A1 Azacyclopentane Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-09 US disclosed
US-20090093527-A1 Azacyclopentane Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-09 US disclosed
US-20090093527-A1 Azacyclopentane Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-09 US disclosed
WO-2007143824-A1 AZACYCLOPENTANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2007-12-21 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-20090093527-A1 Azacyclopentane Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase SCD, SCD5, SREBF1 SCD 1/4885LIPG 200/4885GRIK1 2070/4885

“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.