SCHEMBL4414396

SCHEMBL4414396

CCc1cccc(CC)c1-c1cc(CN)c(CN2CCCC(c3ccccc3)C2)c(C)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.43
DRD3 P35462 6/20 0.43
DRD4 P21917 5/20 0.43
DRD1 P21728 4/20 0.43
DRD5 P21918 4/20 0.43
HTR1A P08908 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
C5AR1 P21730 1/20 0.39
SIGMAR1 Q99720 2/20 0.37
NFKB1 P19838 1/20 0.37
PRCP P42785 1/20 0.37
EBP Q15125 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
SCHEMBL1328041 0.87 PDE2A (0.43) DRD2DRD3DRD4DRD1DRD5
SCHEMBL4414394 0.86 PTPN11 (0.41) DRD2DRD3DRD4DRD1DRD5
SCHEMBL1327693 0.84 DRD2 (0.43) DRD2DRD3DRD4DRD1DRD5
SCHEMBL1327261 0.84 C5AR1 (0.44) DRD2DRD3DRD4DRD1DRD5
SCHEMBL1328122 0.84 C5AR1 (0.44) DRD2DRD3DRD4DRD1DRD5
SCHEMBL1328538 0.84 DRD2 (0.43) DRD2DRD3DRD4DRD1DRD5
SCHEMBL1327695 0.84 DRD2 (0.43) DRD2DRD3DRD4DRD1DRD5
SCHEMBL1327262 0.84 C5AR1 (0.44) DRD2DRD3DRD4DRD1DRD5
SCHEMBL1329530 0.83 DRD2 (0.39) DRD2DRD3DRD4DRD1DRD5
SCHEMBL4410376 0.78 CYP2A13 (0.44) C5AR1

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-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US 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-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 DRD2 879/4885DRD3 878/4885DRD4 1071/4885

“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.