SCHEMBL6153741

SCHEMBL6153741

COc1cc(NC2CCCN(Cc3ccccc3)C2)ccc1C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.61
DRD2 P14416 3/20 0.61
DRD3 P35462 2/20 0.61
JAK2 O60674 2/20 0.54
JAK3 P52333 2/20 0.54
ROCK2 O75116 5/20 0.53
GAA P10253 1/20 0.53
ROCK1 Q13464 2/20 0.52
CCR2 P41597 1/20 0.52
MCHR1 Q99705 1/20 0.50
EHMT2 Q96KQ7 1/20 0.49
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL6154970 0.92 MCHR1 (0.56) DRD4DRD2DRD3ROCK2MCHR1
SCHEMBL6153691 0.88 MCHR1 (0.60) DRD4DRD2DRD3MCHR1ACHE
SCHEMBL6154470 0.80 KCNH2 (0.65) DRD2ROCK2ROCK1
SCHEMBL6153437 0.80 ROCK2 (0.60) DRD4DRD2JAK2JAK3ROCK2
SCHEMBL6153423 0.80 MCHR1 (0.62) DRD4DRD2DRD3MCHR1ACHE
SCHEMBL6153759 0.79 MCHR1 (0.61) DRD4DRD2DRD3MCHR1ACHE
SCHEMBL6154946 0.78 LTA4H (0.52) DRD4DRD2DRD3JAK2JAK3
SCHEMBL6154307 0.78 ROCK2 (0.47) DRD2ROCK2GAAROCK1MCHR1
SCHEMBL6154310 0.78 ROCK2 (0.47) DRD2ROCK2GAAROCK1MCHR1
SCHEMBL6154103 0.78 MCHR1 (0.51) DRD4DRD2DRD3JAK2JAK3

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 DRD4 3929/4885DRD2 3058/4885DRD3 3072/4885

“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.