SCHEMBL3826430

SCHEMBL3826430

Ic1ccc(N2CCN(CC3CC3)CC2)nn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.43
CASP4 P49662 1/20 0.43
CASP5 P51878 1/20 0.43
PARP1 P09874 2/20 0.43
OGA O60502 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 1/20 0.39
HTR2C P28335 2/20 0.36
HTR1A P08908 1/20 0.36
KDM2B Q8NHM5 2/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL3825095 0.93 CASP1 (0.53) CASP1CASP4CASP5PARP1OGA
SCHEMBL20037923 0.76 GAA (0.44) OGADRD2DRD3HTR2A
SCHEMBL20255203 0.76 PDE10A (0.40) OGA
SCHEMBL20038405 0.75 OGA (0.40) OGA
SCHEMBL20038154 0.75 OGA (0.48) OGA
SCHEMBL3970574 0.75 MAPT (0.47) PARP1DRD2DRD3
SCHEMBL25106007 0.74 CYP1A2 (0.57) OGA
SCHEMBL3828733 0.73 CYP1A2 (0.46) OGA
SCHEMBL3826525 0.73 LMNA (0.43) OGA
SCHEMBL20255468 0.73 HRH3 (0.49) OGAKDM2B

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 6 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

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 CASP1 1852/4885CASP4 3998/4885CASP5 2740/4885

“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.