SCHEMBL5406963

SCHEMBL5406963

OC(CC1CCC2CN(c3ncccn3)CCN2C1)c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.66
DRD4 P21917 13/20 0.66
HTR1A P08908 2/20 0.54
HTR2A P28223 1/20 0.54
DRD3 P35462 2/20 0.43
SIGMAR1 Q99720 2/20 0.43

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
SCHEMBL14532761 1.00 DRD2 (0.66) DRD2DRD4HTR1AHTR2ADRD3
SCHEMBL5414076 0.81 DRD4 (0.57) DRD2DRD4HTR1AHTR2A
SCHEMBL14532757 0.81 DRD4 (0.57) DRD2DRD4HTR1AHTR2A
SCHEMBL14502917 0.81 DRD4 (0.57) DRD2DRD4HTR1AHTR2A
SCHEMBL5403278 0.79 DRD4 (1.00) DRD2DRD4HTR1AHTR2ADRD3
SCHEMBL14532909 0.79 DRD4 (1.00) DRD2DRD4HTR1AHTR2ADRD3
SCHEMBL5410561 0.79 DRD4 (1.00) DRD2DRD4HTR1AHTR2ADRD3
SCHEMBL5420474 0.79 DRD4 (0.66) DRD2DRD4HTR1AHTR2ADRD3
SCHEMBL14502925 0.79 DRD4 (0.66) DRD2DRD4HTR1AHTR2ADRD3
SCHEMBL14532764 0.79 DRD4 (0.66) DRD2DRD4HTR1AHTR2ADRD3

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 13 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-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
EP-0783503-A1 2,7-SUBSTITUTED OCTAHYDRO-1H-PYRIDO 1,2-a]PYRAZINE DERIVATIVES PFIZER INC. (US) 1997-07-16 EP disclosed
EP-0683781-A4 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE. GENSIA PHARMA (US) 1997-05-28 EP disclosed
WO-1996010571-A1 2,7-SUBSTITUTED OCTAHYDRO-1H-PYRIDO[1,2-a]PYRAZINE DERIVATIVES PFIZER INC. (US) 1996-04-11 WO disclosed
EP-0683781-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA PHARMACEUTICALS, INC. (US) 1995-11-29 EP disclosed
WO-1994018200-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA, INC. (US) 1994-08-18 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 (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 DRD2 27/4885DRD4 65/4885HTR1A 2/4885
US-20040214830-A1 2,7-Substituted octahydro-1H-pyrido[1,2-a]pyrazine derivatives as ligands for serotonin receptors HTR2C, HTR1A, HTR3A DRD2 27/4885DRD4 65/4885HTR1A 2/4885
US-20030055061-A1 2,7-substituted octahydro-1H-pyrido[1,2-A]pyrazine derivatives as ligands for serotonin receptors HTR2C, HTR1A, HTR3A DRD2 27/4885DRD4 65/4885HTR1A 2/4885

“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.