SCHEMBL1328707

SCHEMBL1328707

CCCC(CCC)c1cnc(-c2c(CC)cccc2CC)cc1OCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
C5AR1 P21730 6/20 0.36
ELANE P08246 1/20 0.32
GLA P06280 1/20 0.32
CYP2A6 P11509 1/20 0.31
TTR P02766 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
TSHR P16473 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL1326960 0.91 C5AR1 (0.38) C5AR1TSHR
SCHEMBL1327704 0.88 C5AR1 (0.38) NPSR1L3MBTL1MAPTC5AR1ALOX5AP
SCHEMBL1328717 0.87 C5AR1 (0.37) NPSR1L3MBTL1MAPTC5AR1TTR
SCHEMBL1327582 0.87 NPSR1 (0.36) NPSR1L3MBTL1MAPTC5AR1ELANE
SCHEMBL1327187 0.83 C5AR1 (0.35) C5AR1ALOX5APFEN1
SCHEMBL1328704 0.81 PDE4D (0.33) NPSR1L3MBTL1MAPTC5AR1LMNA
SCHEMBL1327067 0.81 RXRA (0.35) L3MBTL1MAPTLMNAHTTTSHR
SCHEMBL1329010 0.81 PDE4D (0.41) C5AR1
SCHEMBL1328050 0.80 KDM4C (0.33) NPSR1L3MBTL1MAPTC5AR1LMNA
SCHEMBL1327092 0.79 C5AR1 (0.37) C5AR1

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 NPSR1 169/4885L3MBTL1 3202/4885MAPT 4726/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 NPSR1 169/4885L3MBTL1 3202/4885MAPT 4726/4885

“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.