SCHEMBL1329369

SCHEMBL1329369

CCc1cccc(CC)c1-c1cc(CN2CCC3(CC2)OCCO3)c(CN2CCc3ccccc3C2CC(C)C)c(C)n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
C5AR1 P21730 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.31
OPRM1 P35372 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1330386 0.90 CYP2A13 (0.34) ALDH1A1KDM4EGAAC5AR1MEN1
SCHEMBL1329772 0.89 C5AR1 (0.36) ALDH1A1KDM4EC5AR1MEN1KMT2A
SCHEMBL1329132 0.88 C5AR1 (0.33) C5AR1MEN1KMT2AOPRM1
SCHEMBL1328615 0.83 C5AR1 (0.38) ALDH1A1KDM4EC5AR1MEN1KMT2A
SCHEMBL1330541 0.81 C5AR1 (0.45) C5AR1
SCHEMBL1329103 0.80 C5AR1 (0.33) C5AR1MEN1KMT2AOPRM1
SCHEMBL2142672 0.80 C5AR1 (0.34) C5AR1MEN1KMT2AOPRM1SMN1; SMN2
SCHEMBL1328024 0.80 C5AR1 (0.39) C5AR1MEN1KMT2AOPRM1
SCHEMBL1328387 0.80 C5AR1 (0.39) C5AR1MEN1KMT2AOPRM1
SCHEMBL1329007 0.80 C5AR1 (0.37) C5AR1OPRM1

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 ALDH1A1 1966/4885KDM4E 2088/4885GAA 4839/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 ALDH1A1 1966/4885KDM4E 2088/4885GAA 4839/4885

“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.