SCHEMBL1329410

SCHEMBL1329410

CCc1cccc(CC)c1-c1cc(OC)c(CN2CCc3ccccc3C2)c(C)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 9/20 0.54
POLB P06746 1/20 0.52
KDM4E B2RXH2 3/20 0.49
TAAR1 Q96RJ0 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ACHE P22303 1/20 0.44
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL1327907 0.91 C5AR1 (0.48) C5AR1POLBKDM4ETAAR1ALDH1A1
SCHEMBL1327356 0.89 C5AR1 (0.46) C5AR1POLBKDM4ETAAR1ALDH1A1
SCHEMBL1329650 0.88 LMNA (0.46) C5AR1POLBKDM4ETAAR1ALDH1A1
SCHEMBL1327354 0.86 C5AR1 (0.44) C5AR1POLBKDM4EMEN1KMT2A
SCHEMBL1327351 0.85 C5AR1 (0.43) C5AR1POLBKDM4ETAAR1MAPT
SCHEMBL4417669 0.85 C5AR1 (0.42) C5AR1POLBKDM4ETAAR1ALDH1A1
SCHEMBL1329134 0.85 LMNA (0.44) C5AR1POLBKDM4ETAAR1ALDH1A1
SCHEMBL1327926 0.85 C5AR1 (0.46) C5AR1POLBKDM4ETAAR1MAPT
SCHEMBL4820757 0.85 C5AR1 (0.42) C5AR1POLBKDM4EMEN1KMT2A
SCHEMBL1327445 0.85 C5AR1 (0.42) C5AR1POLBKDM4ETAAR1ALDH1A1

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 2/4885POLB 4733/4885KDM4E 2088/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885POLB 4733/4885KDM4E 2088/4885

“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.