SCHEMBL1328044

SCHEMBL1328044

CCOc1cc(-c2c(CC)cccc2CC)ncc1C(C1CCCCC1)N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.37
C5AR1 P21730 3/20 0.36
ALDH1A1 P00352 5/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PIK3CB P42338 1/20 0.34
MAPT P10636 1/20 0.34
TTK P33981 1/20 0.34
CYP2D6 P10635 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL1326912 0.80 NPSR1 (0.36) C5AR1ALDH1A1NPSR1SMN1; SMN2MEN1
SCHEMBL1327868 0.79 C5AR1 (0.42) C5AR1ALDH1A1SMN1; SMN2APOBEC3GRAB9A
SCHEMBL2141072 0.79 BRD4 (0.39) ALDH1A1
SCHEMBL1327079 0.79 C5AR1 (0.40) C5AR1ALDH1A1SMN1; SMN2APOBEC3GRAB9A
SCHEMBL1327159 0.79 C5AR1 (0.40) C5AR1ALDH1A1SMN1; SMN2APOBEC3GRAB9A
SCHEMBL1327076 0.79 C5AR1 (0.40) C5AR1ALDH1A1SMN1; SMN2APOBEC3GRAB9A
SCHEMBL1326933 0.78 C5AR1 (0.43) C5AR1ALDH1A1APOBEC3G
SCHEMBL1328925 0.77 C5AR1 (0.40) C5AR1ALDH1A1APOBEC3G
SCHEMBL1328310 0.77 ALDH1A1 (0.36) DGAT2ALDH1A1NPSR1SMN1; SMN2MEN1
SCHEMBL1328368 0.75 C5AR1 (0.39) C5AR1ALDH1A1APOBEC3G

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 DGAT2 4730/4885C5AR1 2/4885ALDH1A1 1966/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 DGAT2 4730/4885C5AR1 2/4885ALDH1A1 1966/4885

“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.