SCHEMBL1915296

SCHEMBL1915296

C[C@H](N[C@H](C)c1ccccc1)C1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 3/20 0.50
EPHX1 P07099 2/20 0.50
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 1/20 0.46
RECQL P46063 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
IDO1 P14902 2/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
SMPD1 P17405 1/20 0.42
DRD1 P21728 1/20 0.42

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
SCHEMBL28546994 0.98 GAA (0.61) GAAL3MBTL1LMNAEPHX1CYP3A4
SCHEMBL24625629 0.98 GAA (0.61) GAAL3MBTL1LMNAEPHX1CYP3A4
SCHEMBL17605918 0.96 GAA (0.58) GAAL3MBTL1LMNAEPHX1CYP3A4
SCHEMBL24129831 0.92 GAA (0.52) GAAL3MBTL1LMNAEPHX1RECQL
SCHEMBL23606754 0.78 SMN1; SMN2 (0.46) GAAL3MBTL1LMNAEPHX1HPGD
SCHEMBL20661381 0.77 GAA (0.53) GAAL3MBTL1LMNAEPHX1CYP3A4
SCHEMBL3668041 0.77 GAA (1.00) GAAL3MBTL1LMNAEPHX1CYP3A4
SCHEMBL3671016 0.76 GAA (0.96) GAAL3MBTL1LMNAEPHX1CYP3A4
SCHEMBL3665297 0.76 GAA (0.96) GAAL3MBTL1LMNAEPHX1CYP3A4
SCHEMBL21104687 0.76 GAA (0.96) GAAL3MBTL1LMNAEPHX1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742106-B2 Disubstituted heteroaryl-fused pyridines NOVARTIS AG (CH) 2014-06-03 US disclosed
US-8742106-B2 Disubstituted heteroaryl-fused pyridines NOVARTIS AG (CH) 2014-06-03 US disclosed
EP-2516437-B1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2014-01-29 EP disclosed
EP-2516437-B1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2014-01-29 EP disclosed
EP-2516437-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES Novartis AG (CH) 2012-10-31 EP disclosed
CN-102762560-A Disubstituted heteroaryl-fused pyridines NOVARTIS AG 2012-10-31 CN disclosed
US-20120258973-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2012-10-11 US disclosed
US-20120258973-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2012-10-11 US disclosed
WO-2011076744-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2011-06-30 WO disclosed
WO-2011076744-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2011-06-30 WO 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-20120258973-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES CYP4F2, CYP11B2, CYP4F3 GAA 1528/4885L3MBTL1 4860/4885LMNA 3585/4885

“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.