SCHEMBL3826344

SCHEMBL3826344

CC(=O)Oc1cccc(C#Cc2ccc(N3CCC(Oc4ccccc4C#N)CC3)nn2)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.43
PDE10A Q9Y233 1/20 0.40
EPHX2 P34913 1/20 0.40
SCD O00767 3/20 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
SCHEMBL3844811 0.88 SCD (0.42) SCD
SCHEMBL3832763 0.86 SCD (0.55) SCD
SCHEMBL14143567 0.85 RET (0.43) RETPDE10ASCD
SCHEMBL3832521 0.84 GRM5 (0.42) SCD
SCHEMBL14131013 0.84 GRM5 (0.42) SCD
SCHEMBL3832697 0.84 GRM5 (0.42) SCD
SCHEMBL3832573 0.79 SCD (0.42) RETSCD
SCHEMBL3825041 0.78 SCD (0.41) SCD
SCHEMBL3826325 0.77 GRM5 (0.40)
SCHEMBL5102612 0.77 GPR6 (0.41) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099755-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2009-09-16 EP disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US disclosed
WO-2008062276-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-05-29 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-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS SCD, SCD5, ACACA RET 4845/4885PDE10A 3558/4885EPHX2 1750/4885

“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.