SCHEMBL1329014

SCHEMBL1329014

CCc1cccc(CC)c1-c1cc(C)c(CN2CCN(c3ccc(C)cc3)CC2)c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 5/20 0.45
HTR7 P34969 2/20 0.45
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
CYBB P04839 1/20 0.41
NOX5 Q96PH1 1/20 0.41
NOX3 Q9HBY0 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
DHFR P00374 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
EED O75530 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL1328672 0.92 DHFR (0.48) C5AR1HTR7KDM4ELMNADHFR
SCHEMBL1327929 0.90 HTR7 (0.49) C5AR1HTR7KDM4ELMNACYBB
SCHEMBL1328115 0.85 DCTPP1 (0.53) KDM4ECYBBNOX3NOX4NOX1
SCHEMBL1328012 0.85 HTR7 (0.47) C5AR1HTR7LMNADRD2DRD4
SCHEMBL1328958 0.84 CYP2A13 (0.47) C5AR1KDM4ELMNAMAPTALDH1A1
SCHEMBL2137925 0.84 C5AR1 (0.43) C5AR1KDM4EMAPTALDH1A1POLB
SCHEMBL2141586 0.84 C5AR1 (0.43) C5AR1KDM4EMAPTALDH1A1POLB
SCHEMBL1329564 0.82 C5AR1 (0.42) C5AR1KDM4EALDH1A1POLB
SCHEMBL1329623 0.80 DRD4 (0.56) KDM4EDRD2DRD4ALDH1A1POLB
SCHEMBL1328010 0.77 C5AR1 (0.40) C5AR1KDM4ELMNAMAPTALDH1A1

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 C5AR1 2/4885HTR7 159/4885KDM4E 2088/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885HTR7 159/4885KDM4E 2088/4885

“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.