SCHEMBL5420474

SCHEMBL5420474

O=C(CC1CCC2CN(c3ncccn3)CCN2C1)c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 14/20 0.66
DRD2 P14416 14/20 0.66
HTR1A P08908 3/20 0.54
HTR2A P28223 3/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HTR2C P28335 2/20 0.50
ADRA2C P18825 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
HTR2B P41595 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47

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
SCHEMBL14502925 1.00 DRD4 (0.66) DRD4DRD2HTR1AHTR2AKDM4E
SCHEMBL5420478 1.00 DRD4 (0.66) DRD4DRD2HTR1AHTR2AKDM4E
SCHEMBL14532764 1.00 DRD4 (0.66) DRD4DRD2HTR1AHTR2AKDM4E
SCHEMBL14502920 0.82 DRD4 (0.58) DRD4DRD2HTR1AHTR2AKDM4E
SCHEMBL14533031 0.82 DRD4 (0.58) DRD4DRD2HTR1AHTR2AKDM4E
SCHEMBL5410741 0.82 DRD4 (0.58) DRD4DRD2HTR1AHTR2AKDM4E
SCHEMBL7249042 0.80 DRD4 (0.67) DRD4DRD2HTR1AHTR2A
SCHEMBL14502913 0.80 DRD4 (0.67) DRD4DRD2HTR1AHTR2A
SCHEMBL5403278 0.79 DRD4 (1.00) DRD4DRD2HTR1AHTR2ADRD3
SCHEMBL14532909 0.79 DRD4 (1.00) DRD4DRD2HTR1AHTR2ADRD3

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 7 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

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 DRD4 65/4885DRD2 27/4885HTR1A 2/4885
US-20040214830-A1 2,7-Substituted octahydro-1H-pyrido[1,2-a]pyrazine derivatives as ligands for serotonin receptors HTR2C, HTR1A, HTR3A DRD4 65/4885DRD2 27/4885HTR1A 2/4885
US-20030055061-A1 2,7-substituted octahydro-1H-pyrido[1,2-A]pyrazine derivatives as ligands for serotonin receptors HTR2C, HTR1A, HTR3A DRD4 65/4885DRD2 27/4885HTR1A 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.