SCHEMBL1328381

SCHEMBL1328381

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2ccc(C)cc2C)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
C5AR1 P21730 6/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL1327872 0.92 C5AR1 (0.39) FFAR4FFAR1MAPTNPC1RAB9A
SCHEMBL1328614 0.90 MRGPRX4 (0.40) FFAR4FFAR1MAPTL3MBTL1RAB9A
SCHEMBL1327952 0.90 KDM4E (0.41) FFAR4FFAR1MAPTL3MBTL1SMN1; SMN2
SCHEMBL1327779 0.90 L3MBTL1 (0.46) MAPTL3MBTL1LMNAHPGDSMN1; SMN2
SCHEMBL1329448 0.90 FFAR4 (0.40) FFAR4FFAR1C5AR1MRGPRX4
SCHEMBL1327763 0.89 FFAR4 (0.41) FFAR4MAPTL3MBTL1NPC1RAB9A
SCHEMBL1329928 0.89 C5AR1 (0.37) FFAR4MAPTL3MBTL1LMNAHPGD
SCHEMBL1328955 0.88 C5AR1 (0.37) FFAR4FFAR1MAPTL3MBTL1LMNA
SCHEMBL1327830 0.88 MAPT (0.39) MAPTRAB9ALMNAHPGDTSHR
SCHEMBL1327730 0.87 C5AR1 (0.42) FFAR4LMNAC5AR1KDM4E

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 FFAR4 138/4885FFAR1 108/4885MAPT 4726/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 FFAR4 138/4885FFAR1 108/4885MAPT 4726/4885

“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.