SCHEMBL6154416

SCHEMBL6154416

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 5/20 0.47
DRD2 P14416 1/20 0.46
IMPDH2 P12268 2/20 0.44
ALDH1A1 P00352 4/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
BTK Q06187 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
KCNA3 P22001 1/20 0.41
IMPDH1 P20839 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
CTSK P43235 2/20 0.40
AAK1 Q2M2I8 1/20 0.40
RET P07949 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
SCHEMBL6154460 1.00 SUV39H2 (0.47) SUV39H2DRD2IMPDH2ALDH1A1GAA
SCHEMBL6154412 1.00 SUV39H2 (0.47) SUV39H2DRD2IMPDH2ALDH1A1GAA
SCHEMBL6156008 0.87 DRD2 (0.49) SUV39H2DRD2IMPDH2ALDH1A1GAA
SCHEMBL6156003 0.87 DRD2 (0.49) SUV39H2DRD2IMPDH2ALDH1A1GAA
SCHEMBL24193168 0.86 HDAC8 (0.49) DRD2BTKKDM1AMAOBKCNA3
SCHEMBL30054519 0.86 HDAC8 (0.49) DRD2BTKKDM1AMAOBKCNA3
SCHEMBL6155283 0.86 KDM4D (0.49) SUV39H2DRD2KDM1AMAOBKCNA3
SCHEMBL6153458 0.86 KDM4D (0.49) SUV39H2DRD2KDM1AMAOBKCNA3
SCHEMBL6153457 0.86 KDM4D (0.49) SUV39H2DRD2KDM1AMAOBKCNA3
SCHEMBL29665918 0.84 AR (0.48) DRD2

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 SUV39H2 533/4885DRD2 3058/4885IMPDH2 2157/4885

“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.