Sugi Predict

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SCHEMBL16645201

SCHEMBL16645201

CC(C)(C)OC(=O)N1CCC(S(=O)(=O)Nc2ccc3c(c2)CCN(C(=O)COc2cccnc2)C3)CC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.68
▸ KDM1A O60341 1/20 0.43
▸ GPR119 Q8TDV5 4/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ESR2 Q92731 1/20 0.41
▸ TGFBR1 P36897 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ PTK2 Q05397 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ ACVR1 Q04771 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL16634820 0.90 NAMPT (0.70) NAMPTJAK2ACVR1MAPTALDH1A1
SCHEMBL16634756 0.89 NAMPT (0.67) NAMPTACVR1MAPTALDH1A1
SCHEMBL16645229 0.86 NAMPT (0.67) NAMPTACVR1MAPTALDH1A1
SCHEMBL16634780 0.86 NAMPT (0.67) NAMPTACVR1MAPTALDH1A1
SCHEMBL16645179 0.85 NAMPT (0.62) NAMPTACVR1MAPT
SCHEMBL16634725 0.84 NAMPT (0.63) NAMPTACVR1MAPTALDH1A1
SCHEMBL16634738 0.81 NAMPT (1.00) NAMPTJAK2ACVR1MAPTALDH1A1
SCHEMBL29478194 0.81 NAMPT (1.00) NAMPTJAK2ACVR1MAPTALDH1A1
SCHEMBL16634834 0.81 NAMPT (0.75) NAMPTACVR1MAPTALDH1A1
SCHEMBL16634691 0.78 NAMPT (0.77) NAMPTACVR1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220125814-A1 CANCER COMBINATION THERAPIES UTILIZING A NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITOR IN COMBINATION WITH A NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY PRECURSOR FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2022-04-28 — — 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
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 (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-20220125814-A1 CANCER COMBINATION THERAPIES UTILIZING A NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITOR IN COMBINATION WITH A NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY PRECURSOR NAMPT, NADK, NNT NAMPT 1/4885KDM1A 3008/4885GPR119 2021/4885
US-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS NAMPT, NAPRT, NNMT NAMPT 1/4885KDM1A 1022/4885GPR119 1528/4885

“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.