SCHEMBL6154470

SCHEMBL6154470

COc1cc(NC2CC3CCC(C2)N3Cc2ccccc2)ccc1C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.65
OPRK1 P41145 2/20 0.65
OPRM1 P35372 1/20 0.65
OPRD1 P41143 1/20 0.65
DRD2 P14416 1/20 0.55
LTA4H P09960 7/20 0.55
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
SUV39H2 Q9H5I1 1/20 0.50
ROCK2 O75116 1/20 0.50
ARHGDIA P52565 1/20 0.50
ROCK1 Q13464 1/20 0.50

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
SCHEMBL6153691 0.84 MCHR1 (0.60) KCNH2OPRK1DRD2CYP2D6
SCHEMBL6153741 0.80 DRD4 (0.61) DRD2ROCK2ROCK1
SCHEMBL6154970 0.80 MCHR1 (0.56) KCNH2OPRK1DRD2CYP2D6ROCK2
SCHEMBL9021904 0.80 DRD2 (0.62) DRD2CYP2D6CYP2C19
SCHEMBL6154307 0.79 ROCK2 (0.47) DRD2SUV39H2ROCK2ROCK1
SCHEMBL6154310 0.79 ROCK2 (0.47) DRD2SUV39H2ROCK2ROCK1
SCHEMBL9021623 0.76 DRD2 (0.68) OPRK1DRD2CYP2D6CYP2C19
SCHEMBL6154274 0.75 HTR4 (0.50)
SCHEMBL6153423 0.75 MCHR1 (0.62) KCNH2OPRK1DRD2LTA4HCYP2D6
SCHEMBL6154287 0.74 PARP15 (0.55)

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 KCNH2 118/4885OPRK1 947/4885OPRM1 1474/4885

“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.