SCHEMBL6905577

SCHEMBL6905577

O=C1COc2ccc(CN3CCN(c4nc5ccccc5s4)CC3)cc2N1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
DRD2 P14416 7/20 0.66
DRD4 P21917 6/20 0.66
DRD3 P35462 4/20 0.66
HTR1A P08908 7/20 0.60
HTR1D P28221 7/20 0.60
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
PARP1 P09874 2/20 0.56
HTR1B P28222 4/20 0.53
SLC6A4 P31645 3/20 0.53
HTR2A P28223 2/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL6907354 0.83 DRD4 (0.66) DRD2DRD4DRD3HTR1AHTR1D
SCHEMBL29384882 0.80 KMT2A (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL677470 0.80 KMT2A (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL6906039 0.80 DRD4 (1.00) DRD2DRD4DRD3HTR1AHTR1D
SCHEMBL6906613 0.79 DRD2 (0.64) DRD2DRD4DRD3HTR1AHTR1D
SCHEMBL6910011 0.77 DRD4 (0.78) DRD2DRD4DRD3HTR1AHTR1D
SCHEMBL6909127 0.77 DRD2 (0.74) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL7756335 0.76 RAB9A (0.74) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4177932 0.75 HTR1D (1.00) DRD2DRD4DRD3HTR1AHTR1D
SCHEMBL6906093 0.75 DRD2 (0.70) CYP3A4CYP2D6CYP2C9DRD2DRD4

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 MEN1 3624/4885KMT2A 2972/4885CYP1A2 1259/4885
US-20020052373-A1 Combination treatment for dementia or cognitive deficits associated with alzheimer's disease and parkinson's disease ACHE, BCHE, CHRM4 MEN1 3739/4885KMT2A 2509/4885CYP1A2 1414/4885
US-20040048869-A1 Combination treatment for depression, anxiety and psychosis HTR4, CHRNA4, GRM4 MEN1 3624/4885KMT2A 2972/4885CYP1A2 1259/4885

“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.