SCHEMBL1328115

SCHEMBL1328115

CCc1cccc(CC)c1-c1cc(C)c(CN2CCN(c3cccc(OC)c3)CC2)c(C)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 3/20 0.53
SMO Q99835 2/20 0.52
DRD2 P14416 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GFER P55789 1/20 0.47
CYBB P04839 2/20 0.47
NOX4 Q9NPH5 2/20 0.47
NOX1 Q9Y5S8 2/20 0.47
NOX3 Q9HBY0 1/20 0.47
DRD4 P21917 1/20 0.47
MAPT P10636 3/20 0.47
TSHR P16473 1/20 0.47
KCNH2 Q12809 2/20 0.46
HSD17B10 Q99714 1/20 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
SCHEMBL1327929 0.89 HTR7 (0.49) DCTPP1DRD2KDM4EALDH1A1CYBB
SCHEMBL1328672 0.89 DHFR (0.48) SMODRD2KDM4EALDH1A1DRD4
SCHEMBL1329014 0.85 C5AR1 (0.45) SMODRD2KDM4EALDH1A1CYBB
SCHEMBL1328012 0.81 HTR7 (0.47) DRD2DRD4
SCHEMBL2137925 0.81 C5AR1 (0.43) KDM4EALDH1A1MAPT
SCHEMBL2141586 0.81 C5AR1 (0.43) KDM4EALDH1A1MAPT
SCHEMBL1328767 0.79 ALDH1A1 (0.41) DCTPP1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL1328958 0.79 CYP2A13 (0.47) KDM4EALDH1A1MAPTHSD17B10
SCHEMBL1329564 0.79 C5AR1 (0.42) KDM4EALDH1A1
SCHEMBL1329623 0.78 DRD4 (0.56) DRD2KDM4EALDH1A1SMN1; SMN2DRD4

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 DCTPP1 3682/4885SMO 3069/4885DRD2 879/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 DCTPP1 3682/4885SMO 3069/4885DRD2 879/4885

“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.