SCHEMBL5233459

SCHEMBL5233459

COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.63
ALDH1A1 P00352 1/20 0.56
NPC1 O15118 1/20 0.54
KMT2A Q03164 4/20 0.53
POLB P06746 1/20 0.53
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.51
SCN5A Q14524 1/20 0.51
SCN3A Q9NY46 1/20 0.51
MEN1 O00255 3/20 0.50
SCN4A P35499 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL5233467 1.00 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1NPC1KMT2APOLB
SCHEMBL6179708 0.90 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1NPC1KMT2APOLB
SCHEMBL5161578 0.90 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1NPC1KMT2APOLB
SCHEMBL17069045 0.89 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1NPC1KMT2APOLB
SCHEMBL4473488 0.89 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1NPC1KMT2APOLB
SCHEMBL3591879 0.89 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1NPC1KMT2APOLB
SCHEMBL11032344 0.89 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1NPC1KMT2APOLB
SCHEMBL13878761 0.89 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1NPC1KMT2APOLB
SCHEMBL11585903 0.88 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1NPC1KMT2APOLB
SCHEMBL18374165 0.88 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1NPC1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105622717-A Six cyclic dipeptides used for wound healing GOOD DOCTOR PHARMACEUTICAL GROUP CO LTD 2016-06-01 CN disclosed
EP-1513842-B1 SUBSTITUTED HEXAHYDROPYRROLO (1,2-A)PYRAZINES, OCTAHYDROPYRIDO(1,2-A)PYRAZINES AND DECAHYDROPYRAZINO(1,2-A)AZEPINES NOVO NORDISK AS (DK) 2007-03-07 EP disclosed
US-7186721-B2 Substituted hexahydropyrrolo[1,2-a]pyrazines, octahydropyrido[1,2-a]-pyrazines and decahydropyrazino[1,2-a]azepines NOVO NORDISK A/S (DK) 2007-03-06 US disclosed
US-7186721-B2 Substituted hexahydropyrrolo[1,2-a]pyrazines, octahydropyrido[1,2-a]-pyrazines and decahydropyrazino[1,2-a]azepines NOVO NORDISK A/S (DK) 2007-03-06 US disclosed
US-7186721-B2 Substituted hexahydropyrrolo[1,2-a]pyrazines, octahydropyrido[1,2-a]-pyrazines and decahydropyrazino[1,2-a]azepines NOVO NORDISK A/S (DK) 2007-03-06 US disclosed
US-20050267116-A1 Substituted hexahydropyrrolo[1,2-a]pyrazines, octahydropyrido[1,2-a]-pyrazines and decahydropyrazino[1,2-a]azepines HIGH POINT PHARMACEUTICALS, LLC 2005-12-01 US disclosed
US-6906060-B2 Substituted hexahydropyrrolo[1,2-a]pyrazines, octahydropyrido[1,2-a]-pyrazines and decahydropyrazino[1,2-a]azepines NOVO NORDISK A/S (DK) 2005-06-14 US disclosed
EP-1513842-A1 SUBSTITUTED HEXAHYDROPYRROLO (1,2-A)PYRAZINES, OCTAHYDROPYRIDO(1,2-A)PYRAZINES AND DECAHYDROPYRAZINO(1,2-A)AZEPINES NOVO NORDISK A/S (DK) 2005-03-16 EP disclosed
US-20040023946-A1 Substituted hexahydropyrrolo[1,2-a]pyrazines, octahydropyrido[1,2-a]-pyrazines and decahydropyrazino[1,2-a]azepines VTVX HOLDINGS II LLC 2004-02-05 US disclosed
WO-2003104235-A1 SUBSTITUTED HEXAHYDROPYRROLO[1,2-A]PYRAZINES, OCTAHYDROPYRIDO[1,2-A]PYRAZINES AND DECAHYDROPYRAZINO[1,2-A]AZEPINES NOVO NORDISK A/S (DK) 2003-12-18 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-20040023946-A1 Substituted hexahydropyrrolo[1,2-a]pyrazines, octahydropyrido[1,2-a]-pyrazines and decahydropyrazino[1,2-a]azepines HRH2, HRH4, HRH1 SMN1; SMN2 3915/4885ALDH1A1 835/4885NPC1 3188/4885
US-20050267116-A1 Substituted hexahydropyrrolo[1,2-a]pyrazines, octahydropyrido[1,2-a]-pyrazines and decahydropyrazino[1,2-a]azepines HRH2, HRH4, HRH1 SMN1; SMN2 3900/4885ALDH1A1 1228/4885NPC1 2724/4885

“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.