SCHEMBL1328955

SCHEMBL1328955

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2cc(C)ccc2F)c(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 5/20 0.37
P2RX3 P56373 1/20 0.33
AKR1C3 P42330 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PPARG P37231 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
GUCY1B2 O75343 5/20 0.31
GUCY1A2 P33402 5/20 0.31
GUCY1A1 Q02108 5/20 0.31
GUCY1B1 Q02153 5/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
S1PR1 P21453 1/20 0.31
LMNA P02545 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
SCHEMBL1329131 0.92 C5AR1 (0.37) C5AR1FFAR4GUCY1B2GUCY1A2GUCY1A1
SCHEMBL1327872 0.90 C5AR1 (0.39) C5AR1AKR1C3FFAR1FFAR4HPGD
SCHEMBL1329248 0.89 C5AR1 (0.42) C5AR1KDM4EL3MBTL1
SCHEMBL1328029 0.89 C5AR1 (0.39) C5AR1L3MBTL1MRGPRX4GUCY1B2GUCY1A2
SCHEMBL1327779 0.88 L3MBTL1 (0.46) C5AR1KDM4EL3MBTL1HPGDSMN1; SMN2
SCHEMBL1327830 0.88 MAPT (0.39) C5AR1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL1328614 0.88 MRGPRX4 (0.40) C5AR1AKR1C3FFAR1FFAR4KDM4E
SCHEMBL1327952 0.88 KDM4E (0.41) C5AR1FFAR1FFAR4KDM4EL3MBTL1
SCHEMBL1328381 0.88 FFAR4 (0.41) C5AR1FFAR1FFAR4KDM4EL3MBTL1
SCHEMBL1329312 0.87 C5AR1 (0.40) C5AR1AKR1C3FFAR1FFAR4S1PR1

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 2/4885P2RX3 20/4885AKR1C3 215/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885P2RX3 20/4885AKR1C3 215/4885

“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.