SCHEMBL6156008

SCHEMBL6156008

COc1cc(NC[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)ccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.49
SUV39H2 Q9H5I1 4/20 0.44
AR P10275 1/20 0.42
IMPDH2 P12268 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
DRD3 P35462 2/20 0.40
KCNA3 P22001 1/20 0.40
IDH1 O75874 2/20 0.39
AAK1 Q2M2I8 1/20 0.39
KDM4D Q6B0I6 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
SCHEMBL6156003 1.00 DRD2 (0.49) DRD2SUV39H2ARIMPDH2ALDH1A1
SCHEMBL6154416 0.87 SUV39H2 (0.47) DRD2SUV39H2IMPDH2ALDH1A1KDM4E
SCHEMBL6154412 0.87 SUV39H2 (0.47) DRD2SUV39H2IMPDH2ALDH1A1KDM4E
SCHEMBL6154460 0.87 SUV39H2 (0.47) DRD2SUV39H2IMPDH2ALDH1A1KDM4E
SCHEMBL2390121 0.85 DRD2 (0.44) DRD2SUV39H2ALDH1A1GAADRD3
SCHEMBL2390116 0.85 DRD2 (0.44) DRD2SUV39H2ALDH1A1GAADRD3
SCHEMBL31008890 0.79 DRD2 (0.45) DRD2SUV39H2ALDH1A1GAADRD3
SCHEMBL31206037 0.79 DRD2 (0.45) DRD2SUV39H2ALDH1A1GAADRD3
SCHEMBL6154808 0.79 SUV39H2 (0.46) DRD2SUV39H2ARALDH1A1KDM4E
SCHEMBL31184825 0.77 ALDH1A1 (0.52) DRD2SUV39H2ALDH1A1KDM4EGAA

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 DRD2 3058/4885SUV39H2 533/4885AR 1667/4885

“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.