SCHEMBL16634888

SCHEMBL16634888

Nc1ccc2c(c1)CCN(C(=O)COc1cccnc1)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.62
MAPT P10636 5/20 0.49
TDP1 Q9NUW8 2/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45
PARP1 P09874 1/20 0.45
NOTUM Q6P988 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL17969250 0.79 NAMPT (0.70) NAMPTMAPTTDP1GAAL3MBTL1
SCHEMBL17999905 0.79 NAMPT (0.73) NAMPTTAAR1KDM4E
SCHEMBL16634908 0.78 NAMPT (0.70) NAMPTMAPTTDP1GAAL3MBTL1
SCHEMBL16634834 0.78 NAMPT (0.75) NAMPTMAPTTDP1GAAL3MBTL1
SCHEMBL16634691 0.77 NAMPT (0.77) NAMPTMAPTTDP1GAAL3MBTL1
SCHEMBL16634738 0.77 NAMPT (1.00) NAMPTMAPTTDP1GAAL3MBTL1
SCHEMBL29478194 0.77 NAMPT (1.00) NAMPTMAPTTDP1GAAL3MBTL1
SCHEMBL16634939 0.77 NAMPT (0.68) NAMPTMAPTTDP1GAAL3MBTL1
SCHEMBL16645228 0.77 NAMPT (0.75) NAMPTMAPTTDP1GAAL3MBTL1
SCHEMBL17969253 0.77 NAMPT (0.64) NAMPTMAPTTDP1GAATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055304-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS Eli Lilly and Company (US) 2016-08-17 EP disclosed
US-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS ELI LILLY AND COMPANY 2016-08-11 US disclosed
US-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS ELI LILLY AND COMPANY 2016-08-11 US disclosed
US-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS ELI LILLY AND COMPANY 2016-08-11 US disclosed
WO-2015054060-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS ELI LILLY AND COMPANY (US) 2015-04-16 WO disclosed
WO-2015054060-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS ELI LILLY AND COMPANY (US) 2015-04-16 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-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS NAMPT, NAPRT, NNMT NAMPT 1/4885MAPT 1037/4885TDP1 4068/4885

“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.