SCHEMBL6155167

SCHEMBL6155167

CC(C)(C)OC(=O)N(CCN1CCCC1)c1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.42
▸ MCHR1 Q99705 2/20 0.42
▸ HRH2 P25021 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ SCN9A Q15858 3/20 0.40
▸ GPR119 Q8TDV5 2/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ SLC6A4 P31645 1/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ AR P10275 1/20 0.37
▸ SCN7A Q01118 1/20 0.36

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
SCHEMBL1359641 0.83 SIGMAR1 (0.46) PDK1
SCHEMBL38651897 0.79 MLYCD (0.50) GPR119CHRM2CHRM1CHRM3
SCHEMBL14266578 0.76 MLYCD (0.43) SCN9AGPR119CHRM2CHRM1CHRM3
SCHEMBL2376808 0.74 CD274 (0.42) —
SCHEMBL5065542 0.74 PDK1 (0.43) HRH3PDK1
SCHEMBL30239652 0.73 HRH3 (0.50) HRH3HRH2HRH1SLC6A4SCN7A
SCHEMBL6155172 0.73 OPRM1 (0.44) CHRM2CHRM1CHRM3
SCHEMBL6650593 0.72 CHRNB2 (0.42) GPR119AR
SCHEMBL7282122 0.72 PGR (0.39) SCN9AGPR119CHRM2CHRM1CHRM3
SCHEMBL3868314 0.71 CHRNB2 (0.41) GPR119AR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 — — US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 — — EP 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-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 HRH3 39/4885MCHR1 1952/4885HRH2 29/4885

“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.

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