SCHEMBL7205499

SCHEMBL7205499

Cc1cccc(N2CCN(CCCN(OC(=O)/C=C/C(=O)ON(CCCN3CCN(c4cccc(C)c4C)CC3)c3cc(C)c4ccccc4n3)c3cc(C)c4ccccc4n3)CC2)c1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.48
HTR2C P28335 12/20 0.48
DRD2 P14416 6/20 0.48
HTR7 P34969 3/20 0.48
HTR1A P08908 3/20 0.48
SLC6A4 P31645 8/20 0.46
KCNH2 Q12809 1/20 0.46
DRD3 P35462 4/20 0.45
ADRA1A P35348 1/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
FAAH O00519 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL7212903 0.90 PARP1 (0.50) HTR2ADRD2HTR7HTR1ADRD3
SCHEMBL7205665 0.90 HTR7 (0.46) HTR2AHTR2CHTR7HTR1ASLC6A4
SCHEMBL7205882 0.89 DRD2 (0.49) HTR2AHTR2CDRD2HTR7HTR1A
SCHEMBL7205490 0.77 DRD2 (0.58) HTR2AHTR2CDRD2HTR7HTR1A
Fumaric Acid SCHEMBL7205504 0.76 DRD2 (0.55) HTR2AHTR2CDRD2HTR7HTR1A
Fumaric Acid SCHEMBL7205491 0.76 DRD2 (0.55) HTR2AHTR2CDRD2HTR7HTR1A
SCHEMBL7209911 0.70 HTR7 (0.45) HTR2AHTR2CDRD2HTR7HTR1A
Fumaric Acid SCHEMBL7205880 0.70 HTR1A (0.61) HTR2AHTR2CDRD2HTR1ASLC6A4
Fumaric Acid SCHEMBL7205886 0.70 HTR1A (0.61) HTR2AHTR2CDRD2HTR1ASLC6A4
SCHEMBL5009458 0.69 ALDH1A1 (0.61) HTR2AHTR2CDRD2HTR7HTR1A

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 8 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-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 HTR2A 80/4885HTR2C 10/4885DRD2 4/4885

“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.