SCHEMBL1328012

SCHEMBL1328012

CCc1cccc(CC)c1-c1cc(C)c(CN2CCN(c3ccccc3C)CC2)c(C)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.47
C5AR1 P21730 4/20 0.45
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 2/20 0.41
AR P10275 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL1329623 0.88 DRD4 (0.56) DRD2DRD4NPSR1HTTPOLB
SCHEMBL1328672 0.88 DHFR (0.48) HTR7C5AR1DRD2DRD4LMNA
SCHEMBL1329014 0.85 C5AR1 (0.45) HTR7C5AR1DRD2DRD4LMNA
SCHEMBL2137925 0.84 C5AR1 (0.43) C5AR1POLB
SCHEMBL2141586 0.84 C5AR1 (0.43) C5AR1POLB
SCHEMBL1327929 0.84 HTR7 (0.49) HTR7C5AR1DRD2DRD4LMNA
SCHEMBL1328958 0.82 CYP2A13 (0.47) C5AR1LMNAGAAHTT
SCHEMBL1329564 0.82 C5AR1 (0.42) C5AR1GAAPOLB
SCHEMBL1328115 0.81 DCTPP1 (0.53) DRD2DRD4
SCHEMBL1329650 0.78 LMNA (0.46) C5AR1LMNAGAAHTTPOLB

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 HTR7 159/4885C5AR1 2/4885DRD2 879/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 HTR7 159/4885C5AR1 2/4885DRD2 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.