SCHEMBL16634812

SCHEMBL16634812

O=C(O)N1CCc2cc(CN3CCN(C(=O)C4CCOCC4)CC3)ccc2C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
FAAH O00519 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
HDAC6 Q9UBN7 2/20 0.42

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
SCHEMBL17969233 0.86 NAMPT (0.44) LMNASMN1; SMN2KDM4EFAAHMEN1
SCHEMBL16634827 0.86 ESR2 (0.52) CYP2C19LMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL4516661 0.83 HDAC6 (0.56) LMNASMN1; SMN2KDM4ETDP1GAA
SCHEMBL16634941 0.82 LMNA (0.48) CYP2C19LMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL17969237 0.82 TSHR (0.47) LMNASMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL16645204 0.80 NAMPT (0.52) CYP2C19LMNASMN1; SMN2KDM4ETDP1
SCHEMBL4510484 0.78 KEAP1 (0.61) SMN1; SMN2L3MBTL1KDM4ETDP1GAA
SCHEMBL16634922 0.78 OGA (0.46) LMNAKDM4EALDH1A1HDAC6
SCHEMBL4273358 0.77 CYP2C19 (0.74) CYP2C19LMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL4713777 0.75 NAMPT (0.46) CYP2C19LMNASMN1; SMN2L3MBTL1KDM4E

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 3 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
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 CYP2C19 4178/4885LMNA 1449/4885SMN1; SMN2 3720/4885

“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.