SCHEMBL6901807

SCHEMBL6901807

Cc1ccc(N2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)nc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 0.74
DRD2 P14416 13/20 0.74
DRD3 P35462 11/20 0.74
HTR1A P08908 2/20 0.61
CHRM5 P08912 1/20 0.61
ADRA2A P08913 1/20 0.61
ADRA2B P18089 1/20 0.61
HTR2A P28223 1/20 0.61
ADRA1B P35368 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
NSD2 O96028 4/20 0.51
HTR1D P28221 1/20 0.51

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
SCHEMBL6905945 0.94 DRD4 (0.73) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6963339 0.85 DRD4 (1.00) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL2123227 0.82 DRD4 (0.73) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6906052 0.80 DRD4 (1.00) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6906626 0.79 DRD4 (1.00) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL531729 0.78 PARP1 (0.60) DRD4DRD2DRD3
SCHEMBL6907359 0.78 DRD4 (1.00) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6908421 0.78 DRD4 (1.00) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6910062 0.76 DRD4 (1.00) DRD4DRD2DRD3HTR1ACHRM5
SCHEMBL6909154 0.76 DRD4 (1.00) DRD4DRD2DRD3HTR1ACHRM5

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
EP-0906294-B1 BENZOXAZINONE DOPAMINE D4 RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2003-01-29 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
US-6177422-B1 ANTIPSYCHOTIC AGENT WITH REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY 2001-01-23 US claimed
US-20040048869-A1 Combination treatment for depression, anxiety and psychosis PFIZER INC 2004-03-11 US disclosed
EP-0906294-B1 BENZOXAZINONE DOPAMINE D4 RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2003-01-29 EP 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
US-6177422-B1 ANTIPSYCHOTIC AGENT WITH REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY 2001-01-23 US 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 6/4885DRD3 31/4885
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 35/4885DRD3 55/4885
US-20040048869-A1 Combination treatment for depression, anxiety and psychosis HTR4, CHRNA4, GRM4 DRD4 4/4885DRD2 6/4885DRD3 31/4885

“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.