SCHEMBL7528236

SCHEMBL7528236

c1cnc(N2CCN(CCCCNc3nc4ccccc4s3)CC2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.67
DRD3 P35462 8/20 0.67
HTR1A P08908 7/20 0.67
HTR7 P34969 5/20 0.67
HTR2A P28223 5/20 0.67
DRD4 P21917 4/20 0.67
ADRA2A P08913 2/20 0.65
ADRA2C P18825 2/20 0.65
SLC6A2 P23975 2/20 0.65
ADRA1A P35348 2/20 0.65
HRH1 P35367 2/20 0.65
HTR2B P41595 2/20 0.65
SIGMAR1 Q99720 1/20 0.65
QPCT Q16769 1/20 0.52
ADRA2B P18089 1/20 0.52
DRD1 P21728 1/20 0.52
ADRA1D P25100 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
HTR2C P28335 1/20 0.52

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
SCHEMBL7519839 0.92 DRD2 (0.63) DRD2DRD3HTR1AHTR7HTR2A
Fumaric Acid SCHEMBL7528661 0.91 DRD2 (0.60) DRD2DRD3HTR1AHTR7HTR2A
Fumaric Acid SCHEMBL7528654 0.91 DRD2 (0.60) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL7520750 0.89 DRD2 (0.54) DRD2DRD3HTR1AHTR7HTR2A
Fumaric Acid SCHEMBL7528644 0.83 HTR1A (0.56) DRD2DRD3HTR1AHTR7HTR2A
Fumaric Acid SCHEMBL7528638 0.83 HTR1A (0.56) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL5185969 0.83 DRD2 (0.59) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL491920 0.82 SMN1; SMN2 (0.60) QPCTTP53CYP1A2CYP3A4CYP2D6
SCHEMBL7520064 0.81 DRD2 (0.50) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL7519088 0.81 DRD2 (0.50) DRD2DRD3HTR1AHTR7HTR2A

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-6432958-B1 FOR THERAPY AND PROPHYLAXIS OF NEUROPSYCHOLOGICAL DISORDERS SUCH AS SCHIZOPHRENIA, MANIA, DEMENTIA, DEPRESSION, ANXIETY, COMPULSIVE BEHAVIOR, SUBSTANCE ABUSE, MOTOR DISORDERS AND MOTION DISORDERS RELATED TO USE OF NEUROLEPTIC AGENT NEUROGEN CORPORATION 2002-08-13 US claimed
US-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2002-05-16 US claimed
EP-1117663-A2 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2001-07-25 EP claimed
WO-2000018767-A2 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-04-06 WO claimed
US-6432958-B1 FOR THERAPY AND PROPHYLAXIS OF NEUROPSYCHOLOGICAL DISORDERS SUCH AS SCHIZOPHRENIA, MANIA, DEMENTIA, DEPRESSION, ANXIETY, COMPULSIVE BEHAVIOR, SUBSTANCE ABUSE, MOTOR DISORDERS AND MOTION DISORDERS RELATED TO USE OF NEUROLEPTIC AGENT NEUROGEN CORPORATION 2002-08-13 US disclosed
US-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2002-05-16 US disclosed
US-6284759-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS NEUROGEN CORPORATION 2001-09-04 US disclosed
EP-1117663-A2 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2001-07-25 EP disclosed
WO-2000018767-A2 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-04-06 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-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands CHRNA7, HTR7, OPRD1 DRD2 8/4885DRD3 13/4885HTR1A 16/4885

“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.