SCHEMBL5410741

SCHEMBL5410741

O=C(c1ccc(F)cc1)C1CCC2CN(c3ncccn3)CCN2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.58
DRD2 P14416 11/20 0.58
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SLC6A7 Q99884 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR1A P08908 3/20 0.47
HTR2A P28223 2/20 0.47
SLC6A9 P48067 1/20 0.47
MGLL Q99685 1/20 0.46
ADRA2C P18825 1/20 0.46
HTR2C P28335 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL14502920 1.00 DRD4 (0.58) DRD4DRD2L3MBTL1KDM4EMEN1
SCHEMBL14533031 1.00 DRD4 (0.58) DRD4DRD2L3MBTL1KDM4EMEN1
SCHEMBL5420474 0.82 DRD4 (0.66) DRD4DRD2L3MBTL1KDM4EALDH1A1
SCHEMBL14502925 0.82 DRD4 (0.66) DRD4DRD2L3MBTL1KDM4EALDH1A1
SCHEMBL5420478 0.82 DRD4 (0.66) DRD4DRD2L3MBTL1KDM4EALDH1A1
SCHEMBL14532764 0.82 DRD4 (0.66) DRD4DRD2L3MBTL1KDM4EALDH1A1
SCHEMBL6212106 0.80 L3MBTL1 (0.62) DRD4DRD2L3MBTL1KDM4EMEN1
SCHEMBL5414076 0.76 DRD4 (0.57) DRD4DRD2L3MBTL1HTR1AHTR2A
SCHEMBL14502917 0.76 DRD4 (0.57) DRD4DRD2L3MBTL1HTR1AHTR2A
SCHEMBL14532757 0.76 DRD4 (0.57) DRD4DRD2L3MBTL1HTR1AHTR2A

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 27/4885L3MBTL1 4277/4885
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 27/4885L3MBTL1 4277/4885
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 27/4885L3MBTL1 4277/4885

“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.