SCHEMBL1329946

SCHEMBL1329946

CCc1cccc(CC)c1-c1nc(C)c(COc2ccc(Cl)cc2F)c(OC)c1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.39
PTGER1 P34995 6/20 0.38
S1PR4 O95977 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
TBXA2R P21731 2/20 0.37
PTGS1 P23219 2/20 0.37
CYP2C19 P33261 2/20 0.37
PTGER3 P43115 2/20 0.37
PTGER2 P43116 2/20 0.37
PTGFR P43088 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
HPD P32754 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
SCHEMBL1327500 0.86 C5AR1 (0.34) PTGER1
SCHEMBL1327784 0.85 FFAR1 (0.37)
SCHEMBL1329052 0.84 MRGPRX4 (0.36) MRGPRX4FFAR4
SCHEMBL1328301 0.83 MRGPRX4 (0.38) MRGPRX4FFAR4
SCHEMBL1328324 0.82 PPARG (0.36)
SCHEMBL2140390 0.82 C5AR1 (0.43) MRGPRX4PTGER1S1PR4CYP1A2CYP2C9
SCHEMBL1327557 0.82 MRGPRX4 (0.42) MRGPRX4PTGER1S1PR4CYP1A2CYP2C9
SCHEMBL1329557 0.80 POLB (0.39) MRGPRX4
SCHEMBL1329945 0.79 NR1H4 (0.36) MRGPRX4FFAR4
SCHEMBL1329949 0.79 L3MBTL1 (0.37)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 MRGPRX4 30/4885PTGER1 173/4885S1PR4 277/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 MRGPRX4 30/4885PTGER1 173/4885S1PR4 277/4885

“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.