SCHEMBL5403039

SCHEMBL5403039

CC(C)(C)c1cccc(OC[C@H]2CC[C@H]3CN(c4ncc(F)cn4)CCN3C2)c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 16/20 0.69
DRD2 P14416 15/20 0.69
HTR1A P08908 1/20 0.69
HTR2A P28223 1/20 0.69
ADORA2A P29274 1/20 0.49

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
SCHEMBL7632544 0.92 DRD4 (0.70) DRD4DRD2HTR1AHTR2AADORA2A
SCHEMBL6906393 0.92 DRD4 (0.70) DRD4DRD2HTR1AHTR2AADORA2A
SCHEMBL5419042 0.89 DRD4 (0.74) DRD4DRD2HTR1AHTR2AADORA2A
SCHEMBL7556929 0.89 DRD4 (0.74) DRD4DRD2HTR1AHTR2AADORA2A
SCHEMBL7628544 0.88 DRD4 (0.73) DRD4DRD2HTR1AHTR2AADORA2A
SCHEMBL6903337 0.88 DRD4 (0.73) DRD4DRD2HTR1AHTR2AADORA2A
SCHEMBL6904898 0.86 DRD4 (0.70) DRD4DRD2HTR1AHTR2AADORA2A
SCHEMBL14533026 0.85 DRD4 (0.85) DRD4DRD2HTR1AHTR2A
SCHEMBL5414093 0.85 DRD4 (0.85) DRD4DRD2HTR1AHTR2A
SCHEMBL6846749 0.84 DRD4 (0.73) DRD4DRD2HTR1AHTR2AADORA2A

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 11 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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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
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.