SCHEMBL7520064

SCHEMBL7520064

Fc1cnc(N2CCN(CCNc3nc4ccccc4s3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.50
HTR1A P08908 5/20 0.50
HTR7 P34969 4/20 0.50
SIGMAR1 Q99720 4/20 0.50
DRD3 P35462 3/20 0.50
DRD4 P21917 2/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2C P18825 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
HTR2B P41595 1/20 0.50
HTR2A P28223 3/20 0.49
SLC27A1 Q6PCB7 1/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ILK Q13418 2/20 0.45
QPCT Q16769 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
SCHEMBL7520750 0.93 DRD2 (0.54) DRD2HTR1AHTR7SIGMAR1DRD3
Fumaric Acid SCHEMBL7519061 0.92 MEN1 (0.49) DRD2HTR1AHTR7SIGMAR1DRD3
Fumaric Acid SCHEMBL7519064 0.92 MEN1 (0.49) DRD2HTR1AHTR7SIGMAR1DRD3
SCHEMBL7519088 0.89 DRD2 (0.50) DRD2HTR1AHTR7SIGMAR1DRD3
SCHEMBL7519839 0.89 DRD2 (0.63) DRD2HTR1AHTR7SIGMAR1DRD3
SCHEMBL7528683 0.88 SIGMAR1 (0.46) DRD2SIGMAR1
Bromide SCHEMBL7520767 0.87 MET (0.45) DRD2SIGMAR1
SCHEMBL7523236 0.84 SLC27A1 (0.66) DRD2HTR1AHTR7DRD3DRD4
Hydrochloric Acid SCHEMBL7523122 0.83 SLC27A1 (0.64) DRD2HTR1AHTR7DRD3DRD4
SCHEMBL7518077 0.82 HTR1A (0.47) DRD2HTR1AHTR7SIGMAR1DRD3

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 8/4885HTR1A 16/4885HTR7 2/4885

“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.