SCHEMBL1328965

SCHEMBL1328965

CCc1cccc(CC)c1-c1cc(OC2CCN(CC)C2)c(CN2C[C@@H](C)O[C@H](C)C2)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
CYP2A13 Q16696 1/20 0.37
ADORA2A P29274 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
C5AR1 P21730 6/20 0.34
MCHR1 Q99705 4/20 0.34
SCN1A P35498 1/20 0.33
SCN8A Q9UQD0 1/20 0.33

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
SCHEMBL1329326 0.89 C5AR1 (0.42) CYP2A13KDM4EHTTC5AR1
SCHEMBL1329322 0.89 C5AR1 (0.42) CYP2A13KDM4EHTTC5AR1
SCHEMBL1327809 0.87 C5AR1 (0.39) CYP2A13KDM4EHTTC5AR1
SCHEMBL1329225 0.84 CYP2A13 (0.38) CYP2A13KDM4EHTTC5AR1
SCHEMBL2138632 0.83 CYP2A13 (0.42) CYP2A13KDM4EHTTC5AR1
SCHEMBL1327167 0.82 CYP2A13 (0.41) CYP2A13KDM4EHTTC5AR1
SCHEMBL1327281 0.81 C5AR1 (0.40) CYP2A13C5AR1
SCHEMBL1328774 0.80 CYP2A13 (0.46) CYP2A13MEN1KMT2AKDM4EHTT
SCHEMBL1328677 0.79 CNR2 (0.36) CNR2CNR1ADORA2AC5AR1SCN1A
SCHEMBL1329264 0.79 C5AR1 (0.36) MEN1KMT2AC5AR1

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 CNR2 114/4885CNR1 65/4885CYP2A13 1143/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 CNR2 114/4885CNR1 65/4885CYP2A13 1143/4885

“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.