SCHEMBL1328274

SCHEMBL1328274

CCCC(OCc1ccccn1)c1cnc(-c2c(CC)cccc2CC)cc1OCC

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SYK P43405 1/20 0.33
C5AR1 P21730 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
SLC1A5 Q15758 1/20 0.32
GRM5 P41594 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1327052 0.84 ABCB1 (0.33) ABCB1ALDH1A1L3MBTL1C5AR1MEN1
SCHEMBL1328704 0.83 PDE4D (0.33) L3MBTL1C5AR1KMT2ASLC1A5GRM5
SCHEMBL2141478 0.83 ALDH1A1 (0.40) HTR1ADRD2ALDH1A1L3MBTL1MEN1
SCHEMBL1326836 0.82 C5AR1 (0.36) C5AR1
SCHEMBL1328050 0.78 KDM4C (0.33) ALDH1A1L3MBTL1C5AR1KMT2AMAPT
SCHEMBL1328085 0.78 C5AR1 (0.36) ALDH1A1L3MBTL1C5AR1MEN1KMT2A
SCHEMBL1328707 0.78 NPSR1 (0.38) L3MBTL1C5AR1ADORA1MAPTNPSR1
SCHEMBL1327067 0.77 RXRA (0.35) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL1327009 0.76 CCNC (0.36) ALDH1A1L3MBTL1MEN1KMT2AGRM5
SCHEMBL1327582 0.76 NPSR1 (0.36) L3MBTL1KDM4EC5AR1GRM5MAPT

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 ABCB1 2107/4885HTR1A 199/4885DRD2 879/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 ABCB1 2107/4885HTR1A 199/4885DRD2 879/4885

“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.