SCHEMBL6154061

SCHEMBL6154061

COc1cc(NC2CCNCC2)c(C)cc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.47
DRD4 P21917 1/20 0.42
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41
DDR1 Q08345 2/20 0.41
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
BRD4 O60885 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
EHMT2 Q96KQ7 2/20 0.38
ROCK2 O75116 2/20 0.38
CCR8 P51685 1/20 0.37
EHMT1 Q9H9B1 1/20 0.37
GAK O14976 1/20 0.37
SYK P43405 2/20 0.37
KCNH2 Q12809 2/20 0.37
MAPK3 P27361 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL12342305 0.88 ALDH1A1 (0.47) BRD4EHMT2EHMT1SYK
SCHEMBL6154542 0.86 HTR4 (0.58) HTR4DRD4CDK1CDK4CCND1
Hydrochloric Acid SCHEMBL6154062 0.85 HTR4 (0.57) HTR4DRD4CDK1CDK4CCND1
SCHEMBL12341150 0.82 CDK2 (0.44) CDK1CDK4CCND1CDK2EHMT2
SCHEMBL6153679 0.79 HTR4 (0.48) HTR4CDK1CDK4CCND1CDK2
SCHEMBL6153952 0.77 DDR1 (0.53) HTR4CDK1CDK4CCND1CDK2
SCHEMBL6154073 0.76 DRD4 (0.58) DRD4KCNH2
SCHEMBL6154140 0.75 HTR4 (0.45) HTR4CDK1CDK4CCND1CDK2
SCHEMBL12316370 0.74 CA1 (0.51) HTR4DRD4
SCHEMBL6154879 0.74 BRD4 (0.47) BRD4ATAD2

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 HTR4 2642/4885DRD4 3929/4885CDK1 408/4885

“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.