SCHEMBL1329649

SCHEMBL1329649

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2cccc(N3CCOCC3)c2)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
LMNA P02545 1/20 0.39
DCTPP1 Q9H773 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
PIK3CB P42338 3/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
P2RY12 Q9H244 1/20 0.36
ATR Q13535 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
C5AR1 P21730 1/20 0.36
KDM5B Q9UGL1 1/20 0.35
AGXT P21549 1/20 0.35
MAPK14 Q16539 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL1327672 0.83 C5AR1 (0.39) LMNASMN1; SMN2MAPTC5AR1
SCHEMBL1330106 0.83 C5AR1 (0.42) LMNASMN1; SMN2MAPTHTTC5AR1
SCHEMBL1327844 0.80 C5AR1 (0.39) LMNASMN1; SMN2MAPTC5AR1
SCHEMBL1328527 0.80 GABRA1 (0.40) C5AR1MRGPRX4
SCHEMBL1329407 0.80 C5AR1 (0.38) MAPTHTTC5AR1
SCHEMBL1327238 0.80 C5AR1 (0.40) LMNASMN1; SMN2MAPTC5AR1MRGPRX4
SCHEMBL1328303 0.80 TSHR (0.49) LMNASMN1; SMN2PIK3CDMAPTC5AR1
SCHEMBL1328471 0.80 C5AR1 (0.39) SMN1; SMN2MAPTHTTC5AR1
SCHEMBL1327783 0.79 C5AR1 (0.39) MAPTC5AR1
SCHEMBL2140627 0.79 APP (0.39) LMNAC5AR1

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 PTGS1 989/4885PTGS2 1676/4885LMNA 3672/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 PTGS1 989/4885PTGS2 1676/4885LMNA 3672/4885

“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.