SCHEMBL1329052

SCHEMBL1329052

CCc1cccc(CC)c1-c1nc(C)c(COc2cccc(Cl)c2F)c(OC)c1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.36
KDM4E B2RXH2 1/20 0.36
P2RX7 Q99572 2/20 0.35
LMNA P02545 1/20 0.34
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
SGMS2 Q8NHU3 1/20 0.32
BDKRB2 P30411 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL1327784 0.91 FFAR1 (0.37) KDM4EHTR1ASGMS2
SCHEMBL1329946 0.84 MRGPRX4 (0.39) MRGPRX4FFAR4
SCHEMBL1327500 0.84 C5AR1 (0.34) KDM4EP2RX7
SCHEMBL1328324 0.82 PPARG (0.36) P2RX7LMNA
SCHEMBL2141899 0.80 C5AR1 (0.40) MRGPRX4KDM4ELMNA
SCHEMBL1329949 0.80 L3MBTL1 (0.37) KDM4ELMNAS1PR5
SCHEMBL1329444 0.79 KCNH2 (0.36) LMNA
SCHEMBL1329557 0.79 POLB (0.39) MRGPRX4KDM4ELMNA
SCHEMBL1328301 0.79 MRGPRX4 (0.38) MRGPRX4FFAR4
SCHEMBL1329216 0.78 CD274 (0.33) KDM4E

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 30/4885KDM4E 2088/4885P2RX7 16/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 MRGPRX4 30/4885KDM4E 2088/4885P2RX7 16/4885

“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.