SCHEMBL5109083

SCHEMBL5109083

CC(=O)Oc1ccc(C#Cc2ccc(N3CC[C@H](Oc4ccccc4F)C3)nn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.39
ACACB O00763 1/20 0.39

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
SCHEMBL14130745 1.00 GRM5 (0.39) GRM5ACACB
SCHEMBL3825041 0.96 SCD (0.41)
SCHEMBL14130908 0.93 GRM5 (0.39) GRM5
SCHEMBL3832697 0.91 GRM5 (0.42) GRM5
SCHEMBL14131013 0.91 GRM5 (0.42) GRM5
SCHEMBL3832521 0.91 GRM5 (0.42) GRM5
SCHEMBL3832784 0.86 CYP3A4 (0.38)
SCHEMBL14130910 0.86 CYP3A4 (0.38)
SCHEMBL3831365 0.86 CYP3A4 (0.38)
SCHEMBL3844811 0.86 SCD (0.42) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US 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-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS SCD, SCD5, ACACA GRM5 2947/4885ACACB 4/4885

“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.