SCHEMBL16634725

SCHEMBL16634725

O=C(COc1cccnc1)N1CCc2cc(NS(=O)(=O)C3CCN(C4COC4)CC3)ccc2C1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.63
CYP2C9 P11712 1/20 0.42
MAPT P10636 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
ACVR1 Q04771 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL16645229 0.90 NAMPT (0.67) NAMPTMAPTCPT2CPT1AACVR1
SCHEMBL16634820 0.89 NAMPT (0.70) NAMPTMAPTCPT2CPT1AACVR1
SCHEMBL16634756 0.88 NAMPT (0.67) NAMPTMAPTCPT2CPT1AACVR1
SCHEMBL16645179 0.87 NAMPT (0.62) NAMPTMAPTCPT2CPT1AACVR1
SCHEMBL16634780 0.87 NAMPT (0.67) NAMPTMAPTCPT2CPT1AACVR1
SCHEMBL16645201 0.84 NAMPT (0.68) NAMPTMAPTACVR1ALDH1A1
SCHEMBL16634834 0.81 NAMPT (0.75) NAMPTMAPTCPT2CPT1AACVR1
SCHEMBL16634908 0.78 NAMPT (0.70) NAMPTCYP2C9MAPTCPT2CPT1A
SCHEMBL16634691 0.77 NAMPT (0.77) NAMPTMAPTACVR1ALDH1A1KDM4E
SCHEMBL16634738 0.77 NAMPT (1.00) NAMPTMAPTACVR1ALDH1A1PTGDR2

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 1/4885CYP2C9 4241/4885MAPT 1037/4885

“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.