SCHEMBL1329448

SCHEMBL1329448

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2ccc(F)cc2C)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.40
MRGPRX4 Q96LA9 3/20 0.40
C5AR1 P21730 7/20 0.39
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
FFAR1 O14842 1/20 0.34
PIK3CA P42336 1/20 0.33
PIK3CG P48736 1/20 0.33
NOTUM Q6P988 1/20 0.33
S1PR1 P21453 2/20 0.33
PPARA Q07869 1/20 0.33
PPARG P37231 1/20 0.32
DHFR P00374 1/20 0.32
DCPS Q96C86 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
SCHEMBL1329680 0.92 DHFR (0.40) FFAR4C5AR1FFAR1DHFRDCPS
SCHEMBL1330568 0.90 C5AR1 (0.42) C5AR1ATP4AATP4B
SCHEMBL1329131 0.90 C5AR1 (0.37) FFAR4C5AR1DHFRDCPS
SCHEMBL1328381 0.90 FFAR4 (0.41) FFAR4MRGPRX4C5AR1FFAR1
SCHEMBL1327763 0.90 FFAR4 (0.41) FFAR4C5AR1
SCHEMBL1327730 0.87 C5AR1 (0.42) FFAR4C5AR1
SCHEMBL1329172 0.87 FFAR1 (0.39) FFAR4C5AR1FFAR1
SCHEMBL1328741 0.87 C5AR1 (0.38) C5AR1DHFRDCPS
SCHEMBL1328222 0.85 MRGPRX4 (0.38) MRGPRX4C5AR1S1PR1
SCHEMBL1330290 0.85 C5AR1 (0.42) C5AR1FFAR1

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 FFAR4 138/4885MRGPRX4 30/4885C5AR1 2/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 FFAR4 138/4885MRGPRX4 30/4885C5AR1 2/4885

“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.