SCHEMBL7532200

SCHEMBL7532200

COc1ccccc1CN1CCN(CCNc2nc3ccc(F)cc3s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 7/20 0.56
ABL1 P00519 2/20 0.49
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
DRD4 P21917 1/20 0.44
SSTR5 P35346 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2B P41595 1/20 0.42

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
Bromide SCHEMBL7527924 0.99 CSNK1D (0.55) CSNK1DABL1ALOX15ALOX12HCRTR1
SCHEMBL7524209 0.90 CSNK1D (0.44) CSNK1DABL1ALOX12HCRTR1HCRTR2
SCHEMBL7524211 0.89 HTR1A (0.46) CSNK1DABL1HCRTR1HCRTR2NPC1
Bromide SCHEMBL7521158 0.89 CSNK1D (0.44) CSNK1DABL1ALOX12HCRTR1HCRTR2
SCHEMBL7529659 0.86 HTR1A (0.57) HTR1ADRD2
SCHEMBL7524691 0.84 RAB9A (0.50) ALOX12NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL27565703 0.81 BCHE (0.54) ALOX15ALOX12NPC1MAPTRAB9A
Fumaric Acid SCHEMBL7518064 0.80 DRD2 (0.53) CSNK1DABL1DRD4HTR1ADRD2
Fumaric Acid SCHEMBL7518055 0.80 DRD2 (0.53) CSNK1DABL1DRD4HTR1ADRD2
SCHEMBL7522090 0.80 MAPT (0.50) ALOX12NPC1MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2002-05-16 US claimed
CN-1325397-A 2-piperazino alkylatnino benzoazole derivatives: dopamine receptor subtype sepcific ligands NEUROGEN CORP (US) 2001-12-05 CN claimed
EP-1117663-A2 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2001-07-25 EP claimed
WO-2000018767-A9 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORP (US) 2001-04-19 WO 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
CN-1325397-A 2-piperazino alkylatnino benzoazole derivatives: dopamine receptor subtype sepcific ligands NEUROGEN CORP (US) 2001-12-05 CN 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-A9 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORP (US) 2001-04-19 WO 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 CSNK1D 433/4885ABL1 1933/4885ALOX15 3390/4885

“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.