SCHEMBL14130747

SCHEMBL14130747

Oc1cccc(C#Cc2cnc(N3CCC(Oc4ccccc4F)CC3)nc2)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.45
SCD O00767 9/20 0.41
GPR6 P46095 3/20 0.41
DCK P27707 2/20 0.40
RET P07949 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL14130929 0.88 SCD (0.46) SCN9ASCDGPR6DCKRET
SCHEMBL3832548 0.84 RET (0.42) SCN9AGPR6DCKRETGRIN1
SCHEMBL3826351 0.84 RET (0.42) SCN9AGPR6DCKRETGRIN1
SCHEMBL3832527 0.82 SCD (0.42) SCDRET
SCHEMBL3826339 0.81 SCD (0.41) SCDRET
SCHEMBL3826490 0.80 SCD (0.46) SCN9ASCDGPR6DCK
SCHEMBL14130918 0.80 GRM5 (0.40) SCDRET
SCHEMBL3832526 0.77 SCD (0.47) SCN9ASCDDCK
SCHEMBL14143841 0.74 SCD (0.51) SCN9ASCDGPR6DCKRET
SCHEMBL3831479 0.72 GRM5 (0.45) SCDDCKRET

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
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 SCN9A 2252/4885SCD 1/4885GPR6 2333/4885

“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.