SCHEMBL7517458

SCHEMBL7517458

Fc1ccc2nc(NCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.52
DRD3 P35462 8/20 0.52
ADRA1A P35348 7/20 0.52
HTR7 P34969 3/20 0.49
SIGMAR1 Q99720 2/20 0.47
HRH4 Q9H3N8 1/20 0.47
HTR1A P08908 5/20 0.46
HTR2C P28335 3/20 0.46
HTR2A P28223 2/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45

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 SCHEMBL7527584 0.99 DRD2 (0.51) DRD2DRD3ADRA1AHTR7SIGMAR1
SCHEMBL7522090 0.87 MAPT (0.50) DRD2HTR7HTR2AALDH1A1MAPT
Bromide SCHEMBL7523247 0.86 SLC27A1 (0.49) DRD2HTR7HTR2AALDH1A1MAPT
SCHEMBL7522052 0.85 SLC27A1 (0.52) DRD2HTR1AHTR2AALDH1A1MAPT
Bromide SCHEMBL7522041 0.84 SLC27A1 (0.51) DRD2HTR1AHTR2AALDH1A1MAPT
SCHEMBL5187147 0.84 DRD2 (0.65) DRD2DRD3ADRA1AHTR7SIGMAR1
SCHEMBL5187839 0.81 DRD2 (0.51) DRD2DRD3HTR7SIGMAR1HTR1A
SCHEMBL7518077 0.80 HTR1A (0.47) DRD2DRD3ADRA1AHTR7SIGMAR1
SCHEMBL7528683 0.78 SIGMAR1 (0.46) DRD2SIGMAR1ALDH1A1CYP1A2CYP3A4
SCHEMBL7524393 0.78 DRD2 (0.52) DRD2DRD3ADRA1AHTR7SIGMAR1

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 10 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
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
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 DRD2 8/4885DRD3 13/4885ADRA1A 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.