SCHEMBL1328144

SCHEMBL1328144

CCc1cccc(CC)c1-c1cc(Oc2ccc3c(N)noc3c2)c(COc2cc(C(C)C)ccc2C)c(C)n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
LTB4R Q15722 1/20 0.33
NR1H4 Q96RI1 3/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31
NR1I2 O75469 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL1330882 0.82 C5AR1 (0.36) C5AR1BCHEACHE
SCHEMBL1327311 0.80 RXRA (0.40) C5AR1NR1H4BCHEACHE
SCHEMBL1327146 0.78 C5AR1 (0.42) C5AR1ALDH1A1LMNABCHEACHE
SCHEMBL1328288 0.77 C5AR1 (0.42) C5AR1ALDH1A1LMNABCHEACHE
SCHEMBL1327641 0.76 C5AR1 (0.43) C5AR1ALDH1A1LMNABCHEACHE
SCHEMBL1329084 0.75 C5AR1 (0.40) C5AR1ALDH1A1LMNABCHEACHE
SCHEMBL1328675 0.75 C5AR1 (0.40) C5AR1ALDH1A1LMNABCHEACHE
SCHEMBL1328730 0.74 ACHE (0.42) C5AR1BCHEACHE
SCHEMBL1326804 0.74 C5AR1 (0.44) C5AR1ALDH1A1LMNABCHEACHE
SCHEMBL2140494 0.74 ADORA2A (0.38) CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885FFAR1 108/4885FFAR4 138/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885FFAR1 108/4885FFAR4 138/4885

“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.