SCHEMBL16634941

SCHEMBL16634941

O=C(C1CCOCC1)N1CCN(Cc2ccc3c(c2)CCNC3)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
FAAH O00519 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
LTA4H P09960 2/20 0.41
AKR1C3 P42330 1/20 0.40

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
SCHEMBL16645226 0.87 ACHE (0.40) LMNASMN1; SMN2CYP2C19MEN1KMT2A
SCHEMBL16634803 0.83 TSHR (0.47) SMN1; SMN2KMT2AFAAHALDH1A1TSHR
SCHEMBL16634812 0.82 CYP2C19 (0.48) LMNASMN1; SMN2CYP2C19L3MBTL1MEN1
SCHEMBL14615209 0.81 SMN1; SMN2 (0.53) SMN1; SMN2TSHR
SCHEMBL22446080 0.78 LMNA (0.44) LMNASMN1; SMN2CYP2C19L3MBTL1MEN1
SCHEMBL24283104 0.77 SMN1; SMN2 (0.57) LMNASMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL16645114 0.77 OGA (0.46) ALDH1A1KDM4E
SCHEMBL16634827 0.77 ESR2 (0.52) LMNASMN1; SMN2CYP2C19L3MBTL1ALDH1A1
SCHEMBL14615001 0.76 SMN1; SMN2 (0.53) SMN1; SMN2TSHR
SCHEMBL4273358 0.75 CYP2C19 (0.74) LMNASMN1; SMN2CYP2C19L3MBTL1MEN1

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 8 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
WO-2020191359-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) 2020-09-24 WO disclosed
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 (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 LMNA 2603/4885SMN1; SMN2 1013/4885CYP2C19 4049/4885
US-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS NAMPT, NAPRT, NNMT LMNA 1449/4885SMN1; SMN2 3720/4885CYP2C19 4178/4885

“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.