Sugi Predict

Sugi Predict / Compounds / SCHEMBL3829377

SCHEMBL3829377

SCHEMBL3829377

Oc1ccc(C#Cc2ccc(N3CCC(O)(Cc4cc(Cl)ccc4Cl)CC3)nn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 6/20 0.38
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ GRIN3A Q8TCU5 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ AKT2 P31751 1/20 0.33
▸ FPR2 P25090 4/20 0.33
▸ PROKR1 Q8TCW9 4/20 0.33
▸ ADK P55263 1/20 0.33
▸ SLC5A2 P31639 1/20 0.33
▸ MCHR1 Q99705 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ EPHX2 P34913 1/20 0.31

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
SCHEMBL14206779 0.90 GRM5 (0.40) GRM5GRIN2DGRIN3BADRA1DADRA1A
SCHEMBL5141200 0.87 GRM5 (0.38) GRM5FPR2PROKR1MCHR1
SCHEMBL3831560 0.80 GRM5 (0.39) GRM5GRIN2B
SCHEMBL3825833 0.80 GRM5 (0.44) GRM5GRIN2DGRIN3BADRA1DADRA1A
SCHEMBL5105366 0.78 CNR2 (0.39) CNR2AKT2FPR2PROKR1SLC5A2
SCHEMBL3825049 0.74 SCD (0.44) —
SCHEMBL14206593 0.72 CYP1A2 (0.42) GRM5CNR2ADKMCHR1
SCHEMBL3831535 0.68 GRM5 (0.43) GRM5GRIN1
SCHEMBL2593292 0.65 GRM5 (0.66) GRM5
SCHEMBL3829403 0.64 SCD (0.42) —

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 8 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 claimed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 — — US claimed
WO-2008062276-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-05-29 — — WO claimed
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
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 — — US 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 GRM5 2947/4885GRIN2D 4071/4885GRIN3B 3952/4885

“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.