SCHEMBL6155075

SCHEMBL6155075

COc1cc(N[C@H]2CC[C@H](NCc3ccccc3)CC2)c(Cl)cc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 17/20 0.49
DRD3 P35462 11/20 0.49
DRD2 P14416 10/20 0.49
POLB P06746 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
ADRA2A P08913 2/20 0.46
CYP2D6 P10635 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
SLC6A2 P23975 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
ADRA1A P35348 2/20 0.46
OPRK1 P41145 2/20 0.46
HTR2B P41595 2/20 0.46
CHRNA4 P43681 2/20 0.46
HTR3A P46098 2/20 0.46
SLC6A3 Q01959 2/20 0.46
PDE4D Q08499 2/20 0.46

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
SCHEMBL6155083 1.00 DRD4 (0.49) DRD4DRD3DRD2POLBCYP1A2
SCHEMBL6156084 0.85 DRD4 (0.68) DRD4DRD3DRD2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6154218 0.84 DRD4 (0.67) DRD4DRD3DRD2CYP1A2CYP3A4
SCHEMBL6156830 0.83 HTR4 (0.43) DRD4DRD3DRD2SLC6A3ADORA3
SCHEMBL6156823 0.83 HTR4 (0.43) DRD4DRD3DRD2SLC6A3ADORA3
SCHEMBL6154310 0.82 ROCK2 (0.47) DRD2ACHE
SCHEMBL6154307 0.82 ROCK2 (0.47) DRD2ACHE
SCHEMBL6154397 0.81 LRRK2 (0.49) DRD4DRD3DRD2SLC6A3ADORA3
SCHEMBL6153477 0.81 ROCK2 (0.52) DRD4SLC6A3ADORA3
SCHEMBL6153479 0.81 ROCK2 (0.52) DRD4SLC6A3ADORA3

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 3929/4885DRD3 3072/4885DRD2 3058/4885

“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.