SCHEMBL7527334

SCHEMBL7527334

COc1ccccc1N1CCN(CCNc2nc3ccccc3s2)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.64
DRD2 P14416 5/20 0.56
ADRA1A P35348 1/20 0.56
DRD3 P35462 1/20 0.56
HTR2A P28223 3/20 0.53
HTR7 P34969 3/20 0.53
HTR6 P50406 3/20 0.53

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
SCHEMBL7525519 0.94 HTR1A (0.66) HTR1ADRD2ADRA1ADRD3HTR2A
Bromide SCHEMBL7524714 0.93 HTR1A (0.64) HTR1ADRD2ADRA1ADRD3HTR2A
SCHEMBL14761427 0.93 HTR1A (0.66) HTR1ADRD2ADRA1ADRD3HTR2A
SCHEMBL14761630 0.92 HTR1A (0.67) HTR1ADRD2ADRA1ADRD3HTR2A
Fumaric Acid SCHEMBL7522937 0.92 HTR1A (0.55) HTR1ADRD2ADRA1ADRD3HTR2A
Fumaric Acid SCHEMBL7522943 0.92 HTR1A (0.55) HTR1ADRD2ADRA1ADRD3HTR2A
SCHEMBL7529659 0.89 HTR1A (0.57) HTR1ADRD2ADRA1ADRD3
SCHEMBL7528032 0.88 HTR1A (0.58) HTR1ADRD2ADRA1ADRD3HTR2A
Bromide SCHEMBL7526628 0.88 HTR1A (0.57) HTR1ADRD2ADRA1ADRD3HTR2A
SCHEMBL7526732 0.86 BCHE (0.58) HTR1ADRD2ADRA1AHTR2AHTR7

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 14 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-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
WO-2011150183-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2011-12-01 WO disclosed
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-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 (2 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-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF HTR5A, HTR3B, HTR1A HTR1A 3/4885DRD2 63/4885ADRA1A 207/4885
US-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands CHRNA7, HTR7, OPRD1 HTR1A 16/4885DRD2 8/4885ADRA1A 74/4885

“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.