SCHEMBL6154970

SCHEMBL6154970

COc1cc(NC2CCCN(Cc3ccccc3)CC2)ccc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.56
DRD4 P21917 8/20 0.55
DRD2 P14416 6/20 0.55
DRD3 P35462 4/20 0.55
ACHE P22303 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP1A2 P05177 1/20 0.55
ADRA2A P08913 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRK1 P41145 1/20 0.55
HTR2B P41595 1/20 0.55
CHRNA4 P43681 1/20 0.55
HTR3A P46098 1/20 0.55

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 0.96 MCHR1 (0.60) MCHR1DRD4DRD2DRD3ACHE
SCHEMBL6153741 0.92 DRD4 (0.61) MCHR1DRD4DRD2DRD3ACHE
SCHEMBL6153423 0.88 MCHR1 (0.62) MCHR1DRD4DRD2DRD3ACHE
SCHEMBL6153759 0.87 MCHR1 (0.61) MCHR1DRD4DRD2DRD3ACHE
SCHEMBL6154946 0.86 LTA4H (0.52) MCHR1DRD4DRD2DRD3ACHE
SCHEMBL6154103 0.85 MCHR1 (0.51) MCHR1DRD4DRD2DRD3ACHE
SCHEMBL6155471 0.85 LTA4H (0.50) MCHR1DRD4DRD2DRD3ACHE
SCHEMBL6153705 0.83 LTA4H (0.48) MCHR1ACHESIGMAR1BACE1ROCK2
SCHEMBL9785772 0.83 ACHE (0.71) ACHESIGMAR1BACE1ROCK2
SCHEMBL6154132 0.83 POLB (0.56) MCHR1DRD4DRD2DRD3ACHE

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 MCHR1 1952/4885DRD4 3929/4885DRD2 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.