SCHEMBL5416595

SCHEMBL5416595

CC(C)(C)OC(=O)N1CCN2C[C@H](COS(C)(=O)=O)CC[C@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.41
NR1H2 P55055 1/20 0.40
SCN9A Q15858 1/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL13734501 0.87 GPR119 (0.44) GPR119NR1H2
SCHEMBL15511942 0.87 GPR119 (0.44) GPR119NR1H2
SCHEMBL613607 0.84 GPR119 (0.47) GPR119NR1H2SCN9AMEN1ALDH1A1
SCHEMBL2241775 0.84 GPR119 (0.47) GPR119NR1H2SCN9AMEN1ALDH1A1
SCHEMBL613606 0.84 GPR119 (0.47) GPR119NR1H2SCN9AMEN1ALDH1A1
SCHEMBL3551509 0.83 NR1H2 (0.56) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL5426179 0.83 NR1H2 (0.56) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL3551512 0.83 NR1H2 (0.56) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL3542936 0.83 NR1H2 (0.56) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL5414571 0.83 NR1H2 (0.56) NR1H2MEN1ALDH1A1MAPTKMT2A

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
US-7220753-B2 2,7-substituted octahydro-1H-pyrido[1,2-a]pyrazine derivatives as ligands for serotonin receptors PFIZER INC. (US) 2007-05-22 US disclosed
US-20040214830-A1 2,7-Substituted octahydro-1H-pyrido[1,2-a]pyrazine derivatives as ligands for serotonin receptors DESAI KISHOR A 2004-10-28 US disclosed
US-20030055061-A1 2,7-substituted octahydro-1H-pyrido[1,2-A]pyrazine derivatives as ligands for serotonin receptors PFIZER INC. 2003-03-20 US disclosed
US-20020132811-A1 2,7-substituted octahydro-1H-pyrido[1,2-A]pyrazine derivatives as ligands for serotonin receptors DESAI KISHOR A (US) 2002-09-19 US disclosed
EP-0783503-B1 2,7-SUBSTITUTED OCTAHYDRO-1H-PYRIDO[ 1,2-A]PYRAZINE DERIVATIVES PFIZER (US) 2001-11-28 EP disclosed
US-6231833-B1 ADMINISTERING TO THE MAMMAL FOR TREATING SEROTONIN SYSTEM RELATED DISORDERS AN EFFECTIVE AMOUNT OF 2,7-SUBSTITUTED OCTAHYDRO-1H-PYRIDO(1,2-A)PYRAZINE DERIVATIVE AS LIGANDS FOR SEROTONIN RECEPTOR PFIZER INC 2001-05-15 US disclosed
EP-1074257-A1 2,7-Substituted octahydro-1H-pyrido (1,2-A)pyrazine derivatives as ligands for serotonin receptors Pfizer Products Inc. (US) 2001-02-07 EP disclosed
US-5852031-A 2,7-substituted octahydro-1H-pyrido 1,2-a!pyrazine derivatives PFIZER INC. (US) 1998-12-22 US disclosed
EP-0783503-A1 2,7-SUBSTITUTED OCTAHYDRO-1H-PYRIDO 1,2-a]PYRAZINE DERIVATIVES PFIZER INC. (US) 1997-07-16 EP disclosed
WO-1996010571-A1 2,7-SUBSTITUTED OCTAHYDRO-1H-PYRIDO[1,2-a]PYRAZINE DERIVATIVES PFIZER INC. (US) 1996-04-11 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 (3 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-20020132811-A1 2,7-substituted octahydro-1H-pyrido[1,2-A]pyrazine derivatives as ligands for serotonin receptors HTR2C, HTR1A, HTR3A GPR119 319/4885NR1H2 352/4885SCN9A 3276/4885
US-20040214830-A1 2,7-Substituted octahydro-1H-pyrido[1,2-a]pyrazine derivatives as ligands for serotonin receptors HTR2C, HTR1A, HTR3A GPR119 319/4885NR1H2 352/4885SCN9A 3276/4885
US-20030055061-A1 2,7-substituted octahydro-1H-pyrido[1,2-A]pyrazine derivatives as ligands for serotonin receptors HTR2C, HTR1A, HTR3A GPR119 319/4885NR1H2 352/4885SCN9A 3276/4885

“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.