SCHEMBL6844227

SCHEMBL6844227

N#Cc1ccc(OC[C@@H]2CC[C@H]3CN(c4ncc(F)cn4)CCN3C2)cc1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 16/20 0.84
DRD2 P14416 15/20 0.84
HTR1A P08908 1/20 0.84
HTR2A P28223 1/20 0.84
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL14532740 0.91 DRD4 (1.00) DRD4DRD2HTR1AHTR2ASIGMAR1
SCHEMBL8797434 0.91 DRD4 (1.00) DRD4DRD2HTR1AHTR2ASIGMAR1
SCHEMBL14502883 0.91 DRD4 (1.00) DRD4DRD2HTR1AHTR2ASIGMAR1
SCHEMBL5415647 0.91 DRD4 (1.00) DRD4DRD2HTR1AHTR2ASIGMAR1
SCHEMBL7098507 0.91 DRD4 (1.00) DRD4DRD2HTR1AHTR2ASIGMAR1
SCHEMBL5402861 0.91 DRD4 (1.00) DRD4DRD2HTR1AHTR2ASIGMAR1
SCHEMBL6844226 0.91 DRD4 (1.00) DRD4DRD2HTR1AHTR2ASIGMAR1
SCHEMBL5408639 0.91 DRD4 (1.00) DRD4DRD2HTR1AHTR2ASIGMAR1
SCHEMBL7998001 0.91 DRD4 (0.69) DRD4DRD2HTR1AHTR2ASIGMAR1
SCHEMBL6908454 0.91 DRD4 (0.69) DRD4DRD2HTR1AHTR2ASIGMAR1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040048869-A1 Combination treatment for depression, anxiety and psychosis PFIZER INC 2004-03-11 US claimed
US-20020094986-A1 Combination treatment for depression, anxiety and psychosis PFIZER INC 2002-07-18 US claimed
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 claimed
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-0783503-B1 2,7-SUBSTITUTED OCTAHYDRO-1H-PYRIDO[ 1,2-A]PYRAZINE DERIVATIVES PFIZER (US) 2001-11-28 EP claimed
US-5852031-A 2,7-substituted octahydro-1H-pyrido 1,2-a!pyrazine derivatives PFIZER INC. (US) 1998-12-22 US claimed
EP-0783503-A1 2,7-SUBSTITUTED OCTAHYDRO-1H-PYRIDO 1,2-a]PYRAZINE DERIVATIVES PFIZER INC. (US) 1997-07-16 EP claimed
WO-1996010571-A1 2,7-SUBSTITUTED OCTAHYDRO-1H-PYRIDO[1,2-a]PYRAZINE DERIVATIVES PFIZER INC. (US) 1996-04-11 WO claimed
US-20040116443-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC 2004-06-17 US disclosed
US-20040048869-A1 Combination treatment for depression, anxiety and psychosis PFIZER INC 2004-03-11 US disclosed
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC. 2003-08-21 US disclosed
US-6548502-B2 Preventing disorder selected from pathological gambling, attention deficit disorder with hyperactivity disorder, substance addiction such as drug and alcohol and sex in a mammals by administering pyrido(1,2-a) pyrazine derivatives PFIZER INC 2003-04-15 US disclosed
US-20020094986-A1 Combination treatment for depression, anxiety and psychosis PFIZER INC 2002-07-18 US disclosed
US-20020049209-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC. 2002-04-25 US disclosed
EP-1177792-A2 Dopamine D4 Ligands for the treatment of novelty-seeking disorders Pfizer Products Inc. (US) 2002-02-06 EP disclosed
EP-0783503-B1 2,7-SUBSTITUTED OCTAHYDRO-1H-PYRIDO[ 1,2-A]PYRAZINE DERIVATIVES PFIZER (US) 2001-11-28 EP disclosed
US-5852031-A 2,7-substituted octahydro-1H-pyrido 1,2-a!pyrazine derivatives PFIZER INC. (US) 1998-12-22 US disclosed
EP-0783503-A1 2,7-SUBSTITUTED OCTAHYDRO-1H-PYRIDO 1,2-a]PYRAZINE DERIVATIVES PFIZER INC. (US) 1997-07-16 EP disclosed
WO-1996010571-A1 2,7-SUBSTITUTED OCTAHYDRO-1H-PYRIDO[1,2-a]PYRAZINE DERIVATIVES PFIZER INC. (US) 1996-04-11 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 (5 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-20020049209-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 DRD4 2/4885DRD2 3/4885HTR1A 85/4885
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-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 DRD4 2/4885DRD2 3/4885HTR1A 85/4885
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.