SCHEMBL5236971

SCHEMBL5236971

COc1ccc(C(=O)CCC(=O)N2CCN3CCC[C@H]3C2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.58
SHMT2 P34897 1/20 0.56
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 1/20 0.55
HPGD P15428 1/20 0.55
KMT2A Q03164 1/20 0.55
POLB P06746 1/20 0.50
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL5233032 0.97 SHMT2 (0.60) HRH3SHMT2ALDH1A1MEN1HPGD
SCHEMBL4388156 0.90 HRH3 (0.64) HRH3ALDH1A1KMT2APOLBKDM4E
SCHEMBL4379469 0.90 HRH3 (0.64) HRH3SHMT2ALDH1A1KMT2AKDM4E
SCHEMBL14190992 0.89 HRH3 (0.61) HRH3SHMT2ALDH1A1KMT2APOLB
Hydrochloric Acid SCHEMBL4384339 0.89 HRH3 (0.65) HRH3ALDH1A1KMT2APOLBKDM4E
Hydrochloric Acid SCHEMBL4377733 0.89 HRH3 (0.65) HRH3SHMT2ALDH1A1KMT2AKDM4E
Hydrochloric Acid SCHEMBL4382886 0.88 HRH3 (0.61) HRH3SHMT2ALDH1A1KMT2APOLB
SCHEMBL4375706 0.88 HRH3 (0.62) HRH3ALDH1A1POLBKDM4ETDP1
SCHEMBL5235270 0.88 HRH3 (0.59) HRH3SHMT2ALDH1A1MEN1HPGD
SCHEMBL5233892 0.88 HRH3 (0.59) HRH3SHMT2ALDH1A1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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
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 HRH3 4/4885SHMT2 3517/4885ALDH1A1 835/4885
US-20050267116-A1 Substituted hexahydropyrrolo[1,2-a]pyrazines, octahydropyrido[1,2-a]-pyrazines and decahydropyrazino[1,2-a]azepines HRH2, HRH4, HRH1 HRH3 4/4885SHMT2 3969/4885ALDH1A1 1228/4885

“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.