SCHEMBL1327264

SCHEMBL1327264

CCc1cccc(CC)c1-c1cc(Oc2ccc(C(N)=O)c(O)c2)c(CN2C[C@@H](C)C[C@H](C)C2)c(C)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SCN9A Q15858 7/20 0.33
C5AR1 P21730 7/20 0.33
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL1327260 1.00 LMNA (0.34) LMNAMAPTTSHRNPSR1SCN9A
SCHEMBL1329213 1.00 LMNA (0.34) LMNAMAPTTSHRNPSR1SCN9A
SCHEMBL1327258 1.00 LMNA (0.34) LMNAMAPTTSHRNPSR1SCN9A
SCHEMBL1327333 0.92 CYP2A13 (0.34) SCN9AC5AR1PARP15PARP10S1PR1
SCHEMBL1328351 0.91 TP53 (0.38) LMNAMAPTTSHRSCN9AOPRK1
SCHEMBL2141460 0.91 LMNA (0.34) LMNAMAPTTSHRSCN9AC5AR1
SCHEMBL1328878 0.88 SCN9A (0.41) SCN9AMAOB
SCHEMBL1327910 0.87 SCN9A (0.43) LMNASCN9A
SCHEMBL1327736 0.87 SCN9A (0.34) SCN9AC5AR1PARP15PARP10MAOA
SCHEMBL1329153 0.86 CD274 (0.37) MAPTS1PR1

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 LMNA 3672/4885MAPT 4726/4885TSHR 231/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 LMNA 3672/4885MAPT 4726/4885TSHR 231/4885

“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.