SCHEMBL2140455

SCHEMBL2140455

CCc1cccc(CC)c1-c1cc(CN2CCC(CO)CC2)c(COc2cc(C(C)C)ccc2C)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.41
BCHE P06276 8/20 0.38
ACHE P22303 8/20 0.38
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
BRD4 O60885 1/20 0.34
MCHR1 Q99705 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOB P27338 1/20 0.33
CD274 Q9NZQ7 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
SCHEMBL1330181 0.92 C5AR1 (0.42) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL1329386 0.91 CD274 (0.39) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL1328126 0.90 CD274 (0.42) C5AR1BCHEACHEALDH1A1CD274
SCHEMBL1327158 0.90 C5AR1 (0.41) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL1328543 0.89 HTT (0.47) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL1328511 0.89 C5AR1 (0.45) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL1328815 0.88 HTT (0.46) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL1329021 0.88 BCHE (0.44) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL1329162 0.87 C5AR1 (0.43) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL1328682 0.87 BCHE (0.45) C5AR1BCHEACHEHTTSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885BCHE 3774/4885ACHE 2578/4885

“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.