SCHEMBL7212903

SCHEMBL7212903

COc1ccccc1N1CCN(CCCN(OC(=O)/C=C/C(=O)ON(CCCN2CCN(c3ccccc3OC)CC2)c2cc(C)c3ccccc3n2)c2cc(C)c3ccccc3n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
DRD2 P14416 9/20 0.49
DRD3 P35462 6/20 0.48
HTR7 P34969 1/20 0.48
FAAH O00519 2/20 0.48
CNR1 P21554 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR1A P08908 2/20 0.47
DRD4 P21917 1/20 0.47
HTR2A P28223 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7205499 0.90 HTR2A (0.48) DRD2DRD3HTR7FAAHCNR1
SCHEMBL7205665 0.88 HTR7 (0.46) PARP1DRD3HTR7HTR1AHTR2A
SCHEMBL7205490 0.87 DRD2 (0.58) DRD2DRD3HTR7HTR1ADRD4
SCHEMBL7205882 0.79 DRD2 (0.49) DRD2DRD3HTR7MEN1KMT2A
Fumaric Acid SCHEMBL7212904 0.77 HTR1A (0.63) DRD2DRD3FAAHCNR1MEN1
Fumaric Acid SCHEMBL7212900 0.77 HTR1A (0.63) DRD2DRD3FAAHCNR1MEN1
SCHEMBL8520611 0.75 HTR1A (0.46) PARP1DRD2DRD3HTR7FAAH
SCHEMBL9028512 0.71 KDM4E (0.68) DRD2DRD3MEN1KMT2AHTR1A
SCHEMBL5655837 0.69 DRD2 (0.63) DRD2DRD3MEN1KMT2AHTR1A
SCHEMBL1491175 0.69 HTR1A (0.71) DRD2DRD3HTR7MEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613901-B2 For therapy and prophylaxis of neuropsychochological disorders such as schizophrenia and other central nervous system diseases NEUROGEN CORPORATION 2003-09-02 US claimed
US-20020143019-A1 2-aminoalkylaminoquinolines as dopamine D4 ligands NEUROGEN CORPORATION 2002-10-03 US claimed
EP-0991642-A1 2-AMINOALKYLAMINOQUINOLINES AS DOPAMINE D4 LIGANDS NEUROGEN CORPORATION (US) 2000-04-12 EP claimed
WO-1998056786-A1 2-AMINOALKYLAMINOQUINOLINES AS DOPAMINE D4 LIGANDS NEUROGEN CORPORATION (US) 1998-12-17 WO claimed
US-6613901-B2 For therapy and prophylaxis of neuropsychochological disorders such as schizophrenia and other central nervous system diseases NEUROGEN CORPORATION 2003-09-02 US disclosed
US-20020143019-A1 2-aminoalkylaminoquinolines as dopamine D4 ligands NEUROGEN CORPORATION 2002-10-03 US disclosed
US-6313141-B1 FOR THERAPY OF SCHIZOPHRENIA, PSYCHOTIC DEPRESSION, MANIA, PARKINSON'S DISEASE AND TARDIVE DISKINESIA NEUROGEN CORPORATION 2001-11-06 US disclosed
EP-0991642-A1 2-AMINOALKYLAMINOQUINOLINES AS DOPAMINE D4 LIGANDS NEUROGEN CORPORATION (US) 2000-04-12 EP disclosed
WO-1998056786-A1 2-AMINOALKYLAMINOQUINOLINES AS DOPAMINE D4 LIGANDS NEUROGEN CORPORATION (US) 1998-12-17 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 (1 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-20020143019-A1 2-aminoalkylaminoquinolines as dopamine D4 ligands SLC6A3, DRD4, ADRA2C PARP1 3959/4885DRD2 4/4885DRD3 7/4885

“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.