SCHEMBL6907064

SCHEMBL6907064

N#Cc1cccc(OC[C@H]2C[C@H]3CN(c4ncc(F)cn4)CCN3C2)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 16/20 0.60
DRD2 P14416 15/20 0.60
HTR1A P08908 1/20 0.60
HTR2A P28223 1/20 0.60
ADORA2A P29274 1/20 0.41
MGLL Q99685 1/20 0.38

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
SCHEMBL7994734 1.00 DRD4 (0.60) DRD4DRD2HTR1AHTR2AADORA2A
SCHEMBL6846749 0.91 DRD4 (0.73) DRD4DRD2HTR1AHTR2AADORA2A
SCHEMBL7822811 0.91 DRD4 (0.59) DRD4DRD2HTR1AHTR2AADORA2A
SCHEMBL5417646 0.91 DRD4 (0.73) DRD4DRD2HTR1AHTR2AADORA2A
SCHEMBL6908454 0.89 DRD4 (0.69) DRD4DRD2HTR1AHTR2A
SCHEMBL7812210 0.89 DRD4 (0.69) DRD4DRD2HTR1AHTR2A
SCHEMBL7998001 0.89 DRD4 (0.69) DRD4DRD2HTR1AHTR2A
SCHEMBL7820625 0.88 DRD4 (0.69) DRD4DRD2HTR1AHTR2A
SCHEMBL7824302 0.86 DRD4 (0.59) DRD4DRD2HTR1AHTR2AADORA2A
SCHEMBL7820261 0.85 DRD4 (0.58) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020052373-A1 Combination treatment for dementia or cognitive deficits associated with alzheimer's disease and parkinson's disease ZORN STEVIN H (US) 2002-05-02 US claimed
EP-1201268-A2 Combinations of D4 dopamine receptor antagonists with acetylcholine esterase inhibitors Pfizer Products Inc. (US) 2002-05-02 EP claimed
EP-0874849-B1 2,7-SUBSTITUTED OCTAHYDRO-PYRROLO 1,2-A]PYRAZINE DERIVATIVES PFIZER (US) 2001-09-19 EP claimed
US-6284757-B1 ANTISEROTINONE AGENT PFIZER INC. 2001-09-04 US claimed
EP-0982030-A2 2,7-substituted octahydro-pyrrolo 1,2-a]pyrazine derivatives as 5ht 1a ligands Pfizer Products Inc. (US) 2000-03-01 EP claimed
EP-0874849-A1 2,7-SUBSTITUTED OCTAHYDRO-PYRROLO 1,2-A]PYRAZINE DERIVATIVES PFIZER INC. (US) 1998-11-04 EP claimed
US-5714487-A 2,7-substituted octahydro-pyrrolo 1,2-a!pyrazine derivatives PFIZER INC. (US) 1998-02-03 US claimed
WO-1997023482-A1 2,7-SUBSTITUTED OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE DERIVATIVES PFIZER INC. (US) 1997-07-03 WO claimed
US-20040048869-A1 Combination treatment for depression, anxiety and psychosis PFIZER INC 2004-03-11 US disclosed
US-20020094986-A1 Combination treatment for depression, anxiety and psychosis PFIZER INC 2002-07-18 US disclosed
EP-1213031-A2 Combination treatment for depression, anxiety and psychosis comprising an antidepressant and/or anxiolytic and a D4 receptor antagonist Pfizer Products Inc. (US) 2002-06-12 EP disclosed
US-20020052373-A1 Combination treatment for dementia or cognitive deficits associated with alzheimer's disease and parkinson's disease ZORN STEVIN H (US) 2002-05-02 US disclosed
EP-1201268-A2 Combinations of D4 dopamine receptor antagonists with acetylcholine esterase inhibitors Pfizer Products Inc. (US) 2002-05-02 EP disclosed
EP-0874849-B1 2,7-SUBSTITUTED OCTAHYDRO-PYRROLO 1,2-A]PYRAZINE DERIVATIVES PFIZER (US) 2001-09-19 EP disclosed
US-6284757-B1 ANTISEROTINONE AGENT PFIZER INC. 2001-09-04 US disclosed
EP-0982030-A2 2,7-substituted octahydro-pyrrolo 1,2-a]pyrazine derivatives as 5ht 1a ligands Pfizer Products Inc. (US) 2000-03-01 EP disclosed
EP-0874849-A1 2,7-SUBSTITUTED OCTAHYDRO-PYRROLO 1,2-A]PYRAZINE DERIVATIVES PFIZER INC. (US) 1998-11-04 EP disclosed
US-5714487-A 2,7-substituted octahydro-pyrrolo 1,2-a!pyrazine derivatives PFIZER INC. (US) 1998-02-03 US disclosed
WO-1997023482-A1 2,7-SUBSTITUTED OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE DERIVATIVES PFIZER INC. (US) 1997-07-03 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-20020094986-A1 Combination treatment for depression, anxiety and psychosis HTR4, CHRNA4, GRM4 DRD4 4/4885DRD2 6/4885HTR1A 12/4885
US-20020052373-A1 Combination treatment for dementia or cognitive deficits associated with alzheimer's disease and parkinson's disease ACHE, BCHE, CHRM4 DRD4 31/4885DRD2 35/4885HTR1A 155/4885
US-20040048869-A1 Combination treatment for depression, anxiety and psychosis HTR4, CHRNA4, GRM4 DRD4 4/4885DRD2 6/4885HTR1A 12/4885

“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.