SCHEMBL1329208

SCHEMBL1329208

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2ccc3c(c2)CCCC3)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 11/20 0.41
GRM5 P41594 1/20 0.39
RAB9A P51151 4/20 0.37
S1PR1 P21453 3/20 0.37
NPC1 O15118 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.36
GFER P55789 1/20 0.36
PAX8 Q06710 1/20 0.36
KLF5 Q13887 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
RXRA P19793 2/20 0.36

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
SCHEMBL4860694 0.90 GRM5 (0.37) C5AR1GRM5RAB9AS1PR1NPC1
SCHEMBL1327918 0.89 C5AR1 (0.45) C5AR1RAB9ANPC1LMNAMAPT
SCHEMBL1329718 0.87 GRM5 (0.42) C5AR1GRM5RAB9ANPC1L3MBTL1
SCHEMBL1328649 0.86 RXRA (0.43) C5AR1MRGPRX4RXRARXRBRXRG
SCHEMBL1327238 0.85 C5AR1 (0.40) C5AR1RAB9ANPC1LMNAMAPT
SCHEMBL1329407 0.85 C5AR1 (0.38) C5AR1RAB9ANPC1L3MBTL1MAPT
SCHEMBL1327672 0.84 C5AR1 (0.39) C5AR1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL1330106 0.84 C5AR1 (0.42) C5AR1L3MBTL1LMNAMAPTHTT
SCHEMBL1328738 0.83 C5AR1 (0.39) C5AR1RAB9ANPC1MAPTHTT
SCHEMBL1329519 0.83 C5AR1 (0.38) C5AR1S1PR1L3MBTL1LMNAMAPT

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 2/4885GRM5 1027/4885RAB9A 736/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885GRM5 1027/4885RAB9A 736/4885

“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.