SCHEMBL1328369

SCHEMBL1328369

CCc1cccc(CC)c1-c1cc(OC)c(COc2cccc(-c3ccccc3)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.43
ERN1 O75460 1/20 0.42
C5AR1 P21730 3/20 0.41
F9 P00740 1/20 0.40
CFD P00746 1/20 0.40
SOD1 P00441 1/20 0.40
CD274 Q9NZQ7 5/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
PDCD1 Q15116 1/20 0.38

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
SCHEMBL1329080 0.92 C5AR1 (0.41) C5AR1CD274KMT2A
SCHEMBL1329002 0.89 KDM4E (0.40) C5AR1LMNAKMT2A
SCHEMBL1330153 0.87 C5AR1 (0.39) PTGER4C5AR1FFAR1KMT2A
SCHEMBL1329562 0.87 MEN1 (0.40) C5AR1CD274LMNACYP1A2CYP3A4
SCHEMBL1329711 0.85 PARP15 (0.44) C5AR1LMNACYP3A4TSHRCYP2C19
SCHEMBL1328968 0.83 ABCB1 (0.45) C5AR1
SCHEMBL2139297 0.83 APP (0.43) C5AR1TSHR
SCHEMBL1327580 0.83 L3MBTL1 (0.41) PDGFRBPDGFRAFFAR1
SCHEMBL1329117 0.83 C5AR1 (0.43) C5AR1TSHRFFAR1POLBGAA
SCHEMBL1328871 0.82 C5AR1 (0.38) C5AR1CD274

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 PTGER4 256/4885ERN1 2944/4885C5AR1 2/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 PTGER4 256/4885ERN1 2944/4885C5AR1 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.