SCHEMBL1328672

SCHEMBL1328672

CCc1cccc(CC)c1-c1cc(C)c(CN2CCN(c3ccccc3)CC2)c(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.48
POLB P06746 1/20 0.46
DRD2 P14416 3/20 0.46
DRD4 P21917 3/20 0.46
DRD3 P35462 3/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 4/20 0.44
ALOX15 P16050 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
HTR7 P34969 1/20 0.43
SMO Q99835 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
C5AR1 P21730 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL1329014 0.92 C5AR1 (0.45) DHFRPOLBDRD2DRD4KDM4E
SCHEMBL1327929 0.91 HTR7 (0.49) DHFRDRD2DRD4KDM4EALDH1A1
SCHEMBL1328115 0.89 DCTPP1 (0.53) DRD2DRD4KDM4EALDH1A1MAPT
SCHEMBL1328012 0.88 HTR7 (0.47) POLBDRD2DRD4LMNAHTR7
SCHEMBL1328958 0.85 CYP2A13 (0.47) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL2137925 0.85 C5AR1 (0.43) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL2141586 0.85 C5AR1 (0.43) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL1329564 0.83 C5AR1 (0.42) POLBKDM4EALDH1A1C5AR1
SCHEMBL1329623 0.83 DRD4 (0.56) POLBDRD2DRD4DRD3KDM4E
SCHEMBL1329650 0.79 LMNA (0.46) DHFRPOLBKDM4EALDH1A1LMNA

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 DHFR 2186/4885POLB 4733/4885DRD2 879/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 DHFR 2186/4885POLB 4733/4885DRD2 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.