SCHEMBL1328527

SCHEMBL1328527

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2cccc(-c3ccccc3)c2)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
PTGER4 P35408 1/20 0.40
C5AR1 P21730 2/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
FFAR4 Q5NUL3 2/20 0.37
SOD1 P00441 1/20 0.37
NR1H4 Q96RI1 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
PPARD Q03181 1/20 0.36
MCL1 Q07820 1/20 0.36
DHODH Q02127 1/20 0.36
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
DHFR P00374 2/20 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
SCHEMBL1330106 0.93 C5AR1 (0.42) C5AR1FFAR4NR1H4MCL1
SCHEMBL1327844 0.90 C5AR1 (0.39) C5AR1MCL1
SCHEMBL1330137 0.89 C5AR1 (0.40) C5AR1NR1H4MCL1
SCHEMBL1328747 0.89 C5AR1 (0.46) PTGER4C5AR1SOD1
SCHEMBL1327672 0.89 C5AR1 (0.39) C5AR1
SCHEMBL1327238 0.88 C5AR1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1327730 0.86 C5AR1 (0.42) C5AR1FFAR4
SCHEMBL1327497 0.86 PTGER4 (0.43) PTGER4C5AR1RXRARXRBSOD1
SCHEMBL1329407 0.85 C5AR1 (0.38) C5AR1
SCHEMBL1328471 0.85 C5AR1 (0.39) C5AR1

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 GABRA1 1368/4885GABRG2 2334/4885GABRB3 2363/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 GABRA1 1368/4885GABRG2 2334/4885GABRB3 2363/4885

“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.