SCHEMBL1328339

SCHEMBL1328339

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2c(F)ccc(C)c2Cl)c(C)n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 13/20 0.35
NR1H4 Q96RI1 2/20 0.31
FGFR4 P22455 1/20 0.31
S1PR1 P21453 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
P2RX3 P56373 1/20 0.31

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
SCHEMBL1328648 0.89 C5AR1 (0.38) C5AR1FFAR4
SCHEMBL1330100 0.89 KMT2A (0.36) C5AR1NR1H4S1PR1
SCHEMBL1328473 0.85 C5AR1 (0.38) C5AR1NR1H4FGFR4S1PR1
SCHEMBL1327998 0.85 MRGPRX4 (0.39) C5AR1P2RX3
SCHEMBL1329563 0.85 C5AR1 (0.37) C5AR1NR1H4S1PR1
SCHEMBL1327756 0.85 C5AR1 (0.37) C5AR1P2RX3
SCHEMBL1327776 0.84 C5AR1 (0.38) C5AR1FFAR4
SCHEMBL1330673 0.84 C5AR1 (0.38) C5AR1NR1H4FGFR4
SCHEMBL1329454 0.84 FFAR1 (0.38) C5AR1P2RX3
SCHEMBL1329873 0.83 C5AR1 (0.36) C5AR1NR1H4

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 C5AR1 2/4885NR1H4 543/4885FGFR4 1651/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885NR1H4 543/4885FGFR4 1651/4885

“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.