Sugi Predict

Sugi Predict / Compounds / SCHEMBL16645203

SCHEMBL16645203

SCHEMBL16645203

CC(c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2)N1CCN(C(=O)C2CCOCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.51
▸ RECQL P46063 1/20 0.46
▸ NR1H2 P55055 1/20 0.45
▸ OGA O60502 1/20 0.42
▸ IDO1 P14902 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ PRMT5 O14744 3/20 0.39
▸ WDR77 Q9BQA1 3/20 0.39
▸ HPGD P15428 2/20 0.38
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.37
▸ KDM4E B2RXH2 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
SCHEMBL16634922 0.87 OGA (0.46) OGAIDO1ALDH1A1MAPTMAPK1
SCHEMBL16634827 0.81 ESR2 (0.52) ESR2RECQLNR1H2IDO1NPC1
SCHEMBL16645114 0.78 OGA (0.46) OGAIDO1ALDH1A1CNR2KDM4E
SCHEMBL29838642 0.78 ESR2 (0.69) ESR2NR1H2NPC1RAB9AALDH1A1
SCHEMBL17969249 0.77 NAMPT (0.52) OGAALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL3730440 0.75 ESR2 (0.67) ESR2NR1H2NPC1RAB9AALDH1A1
SCHEMBL18380098 0.75 ESR2 (0.51) ESR2NR1H2NPC1RAB9AALDH1A1
SCHEMBL14781495 0.74 ESR2 (0.60) ESR2NR1H2NPC1RAB9APRMT5
SCHEMBL25176924 0.74 NR1H2 (0.67) ESR2NR1H2NPC1RAB9AALDH1A1
SCHEMBL30097009 0.74 NR1H2 (0.67) ESR2NR1H2NPC1RAB9AALDH1A1

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-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
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 ESR2 3548/4885RECQL 2558/4885NR1H2 3390/4885
US-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS NAMPT, NAPRT, NNMT ESR2 4495/4885RECQL 1701/4885NR1H2 2307/4885

“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.