SCHEMBL1328209

SCHEMBL1328209

CCc1cccc(CC)c1-c1cc(CN2CCC[C@H]2C(N)=O)c(CN2CCc3ccccc3C2)c(C)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 4/20 0.43
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.39
SPHK1 Q9NYA1 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN3A Q9NY46 1/20 0.36
CD274 Q9NZQ7 2/20 0.36
PDCD1 Q15116 1/20 0.36
DHFR P00374 1/20 0.36
SPR P35270 1/20 0.35
CYP1A2 P05177 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1329134 0.82 LMNA (0.44) C5AR1POLBLMNAMEN1KMT2A
SCHEMBL4417669 0.82 C5AR1 (0.42) C5AR1POLBLMNAMEN1KMT2A
SCHEMBL4417666 0.81 KMT2A (0.45) C5AR1POLBLMNAMEN1KMT2A
SCHEMBL1329650 0.79 LMNA (0.46) C5AR1POLBLMNAMEN1KMT2A
SCHEMBL1329410 0.75 C5AR1 (0.54) C5AR1POLBLMNAMEN1KMT2A
SCHEMBL4825967 0.75 LMNA (0.41) C5AR1POLBLMNAKMT2AALDH1A1
SCHEMBL1327975 0.75 MEN1 (0.48) C5AR1LMNAMEN1KMT2A
SCHEMBL2141626 0.73 LMNA (0.39) C5AR1POLBLMNAMEN1KMT2A
SCHEMBL1327356 0.73 C5AR1 (0.46) C5AR1POLBLMNAMEN1KMT2A
SCHEMBL1327926 0.73 C5AR1 (0.46) C5AR1POLBLMNAKMT2AGAA

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 4733/4885LMNA 3672/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885POLB 4733/4885LMNA 3672/4885

“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.