SCHEMBL16645179

SCHEMBL16645179

O=C(COc1cccnc1)N1CCc2cc(NS(=O)(=O)C3CCN(C(=O)C4CCOCC4)CC3)ccc2C1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.62
MAPT P10636 1/20 0.41
CPT2 P23786 3/20 0.39
CPT1A P50416 3/20 0.39
ACVR1 Q04771 1/20 0.37

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 0.94 NAMPT (0.67) NAMPTMAPTCPT2CPT1AACVR1
SCHEMBL16634756 0.89 NAMPT (0.67) NAMPTMAPTCPT2CPT1AACVR1
SCHEMBL16634820 0.89 NAMPT (0.70) NAMPTMAPTCPT2CPT1AACVR1
SCHEMBL16634725 0.87 NAMPT (0.63) NAMPTMAPTCPT2CPT1AACVR1
SCHEMBL16634780 0.86 NAMPT (0.67) NAMPTMAPTCPT2CPT1AACVR1
SCHEMBL16645201 0.85 NAMPT (0.68) NAMPTMAPTACVR1
SCHEMBL16645204 0.82 NAMPT (0.52) NAMPTMAPTCPT2CPT1A
SCHEMBL16634834 0.81 NAMPT (0.75) NAMPTMAPTCPT2CPT1AACVR1
SCHEMBL17969249 0.79 NAMPT (0.52) NAMPTMAPTCPT2CPT1A
SCHEMBL16634908 0.77 NAMPT (0.70) NAMPTMAPTCPT2CPT1AACVR1

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-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

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 1037/4885CPT2 76/4885

“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.