SCHEMBL7205490

SCHEMBL7205490

COc1ccccc1N1CCN(CCCN(OC(=O)/C=C/C(=O)ON(CCCN2CCN(c3ccccc3OC)CC2)c2ccc3ccccc3n2)c2ccc3ccccc3n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.58
DRD3 P35462 4/20 0.58
HTR1A P08908 7/20 0.56
ADRA1A P35348 1/20 0.55
HTR7 P34969 3/20 0.49
ADRA2A P08913 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
DRD4 P21917 2/20 0.49
HTR6 P50406 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49

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
SCHEMBL7205882 0.88 DRD2 (0.49) DRD2DRD3HTR1AADRA1AHTR7
SCHEMBL7212903 0.87 PARP1 (0.50) DRD2DRD3HTR1AHTR7DRD4
SCHEMBL7205499 0.77 HTR2A (0.48) DRD2DRD3HTR1AADRA1AHTR7
Fumaric Acid SCHEMBL7205485 0.75 HTR1A (0.84) DRD2DRD3HTR1AADRA1A
Fumaric Acid SCHEMBL7205492 0.75 HTR1A (0.84) DRD2DRD3HTR1AADRA1A
SCHEMBL8002128 0.74 HTR1A (0.75) HTR1AADRA1AHTR7DRD4
SCHEMBL7205665 0.74 HTR7 (0.46) DRD3HTR1AHTR7HTR2AHTR2C
SCHEMBL6192921 0.72 HTR1A (0.67) DRD2DRD3HTR1AADRA1ANPC1
SCHEMBL9028512 0.72 KDM4E (0.68) DRD2DRD3HTR1AADRA1AHTR2A
SCHEMBL6526368 0.71 DRD2 (0.85) DRD2DRD3HTR1AADRA1AHTR7

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 10 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
US-5972945-A FOR TREATING PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA AND OTHER CENTRAL NERVOUS SYSTEM DISEASES NEUROGEN CORPORATION (US) 1999-10-26 US 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 DRD2 4/4885DRD3 7/4885HTR1A 44/4885

“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.