SCHEMBL1329623

SCHEMBL1329623

CCOc1ccccc1N1CCN(Cc2c(C)cc(-c3c(CC)cccc3CC)nc2C)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.56
DRD2 P14416 6/20 0.56
DRD3 P35462 6/20 0.56
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
TSHR P16473 2/20 0.52
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL1328012 0.88 HTR7 (0.47) DRD4DRD2HTTPOLBNPSR1
SCHEMBL1328672 0.83 DHFR (0.48) DRD4DRD2DRD3ALDH1A1KDM4E
SCHEMBL1329014 0.80 C5AR1 (0.45) DRD4DRD2ALDH1A1KDM4EKMT2A
SCHEMBL2141586 0.79 C5AR1 (0.43) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL2137925 0.79 C5AR1 (0.43) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL1327929 0.79 HTR7 (0.49) DRD4DRD2ALDH1A1KDM4E
SCHEMBL1328115 0.78 DCTPP1 (0.53) DRD4DRD2ALDH1A1KDM4ETSHR
SCHEMBL1329564 0.77 C5AR1 (0.42) ALDH1A1KDM4EPOLB
SCHEMBL1328958 0.77 CYP2A13 (0.47) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL2140376 0.74 C5AR1 (0.41) DRD4DRD2DRD3ALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
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 (2 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 DRD4 1071/4885DRD2 879/4885DRD3 878/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 DRD4 1071/4885DRD2 879/4885DRD3 878/4885

“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.