SCHEMBL3826490

SCHEMBL3826490

C#Cc1cnc(N2CCC(Oc3ccccc3F)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.46
SCN9A Q15858 1/20 0.44
DCK P27707 2/20 0.43
GPR6 P46095 1/20 0.41
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40

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
SCHEMBL3847667 0.86 DCK (0.46) SCDDCK
SCHEMBL3832526 0.84 SCD (0.47) SCDSCN9ADCKFPR2PROKR1
SCHEMBL3863721 0.82 SCD (0.61) SCD
SCHEMBL14130929 0.80 SCD (0.46) SCDSCN9ADCKGPR6FPR2
SCHEMBL14130747 0.80 SCN9A (0.45) SCDSCN9ADCKGPR6
SCHEMBL14143841 0.76 SCD (0.51) SCDSCN9ADCKGPR6FPR2
SCHEMBL14130994 0.75 CYP3A4 (0.48)
SCHEMBL3831479 0.72 GRM5 (0.45) SCDDCK
SCHEMBL3828744 0.72 DCK (0.46) SCDDCKFPR2PROKR1
SCHEMBL3862178 0.71 SCD (0.66) 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 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 SCD 1/4885SCN9A 2252/4885DCK 1641/4885

“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.