SCHEMBL3825644

SCHEMBL3825644

C#Cc1ccc(N2CCC(Oc3ccc(Br)cc3F)CC2)nn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.43
PROKR1 Q8TCW9 1/20 0.43
SCD O00767 4/20 0.43
SCD5 Q86SK9 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
GPR6 P46095 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
SCHEMBL14130994 0.84 CYP3A4 (0.48) CYP3A4CYP2D6
SCHEMBL14130920 0.84 GPR6 (0.41) FPR2PROKR1SCDSCD5GPR6
SCHEMBL3831495 0.83 FPR2 (0.45) FPR2PROKR1SCDSCD5GPR6
SCHEMBL3832071 0.78 CYP3A4 (0.42) SCDCYP3A4CYP2D6
SCHEMBL5107571 0.78 CYP3A4 (0.42) SCDCYP3A4CYP2D6
SCHEMBL14130868 0.78 CYP3A4 (0.42) SCDCYP3A4CYP2D6
SCHEMBL3825825 0.76 CYP3A4 (0.66) SCDCYP3A4CYP2D6
SCHEMBL14143985 0.73 CYP3A4 (0.44) CYP3A4CYP2D6GPR6
SCHEMBL16695161 0.72 FPR2 (0.49) FPR2PROKR1
SCHEMBL31697091 0.72 FPR2 (0.49) FPR2PROKR1

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
CN-101583600-A Acetylene derivatives as stearoyl-CoA desaturase inhibitors GLENMARK PHARMACEUTICALS SA (CH) 2009-11-18 CN disclosed
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
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 FPR2 2332/4885PROKR1 4603/4885SCD 1/4885

“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.