SCHEMBL4533987

SCHEMBL4533987

O=C(NCCCCN1CCN(c2ccccn2)CC1)c1cnc2ccccc2c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.72
DRD3 P35462 11/20 0.72
HTR2A P28223 9/20 0.72
DRD2 P14416 8/20 0.72
HTR1A P08908 8/20 0.72
HTR2C P28335 4/20 0.72
ADRA2A P08913 1/20 0.66
ADRA2B P18089 1/20 0.66
ADRA2C P18825 1/20 0.66
ADRA1D P25100 1/20 0.66
ADRA1A P35348 1/20 0.66
HRH1 P35367 1/20 0.66
ADRA1B P35368 1/20 0.66
KCNH2 Q12809 1/20 0.66

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
SCHEMBL9631705 0.84 HTR1A (0.66) SLC6A4DRD3HTR2ADRD2HTR1A
SCHEMBL4526369 0.82 DRD3 (1.00) SLC6A4DRD3HTR2ADRD2HTR1A
SCHEMBL13711966 0.82 DRD3 (1.00) SLC6A4DRD3HTR2ADRD2HTR1A
SCHEMBL4519092 0.81 DRD3 (1.00) DRD3HTR2ADRD2HTR1AHTR2C
SCHEMBL14761668 0.81 HTR1A (0.70) SLC6A4DRD3HTR2ADRD2HTR1A
SCHEMBL4521349 0.81 DRD3 (0.73) DRD3HTR2ADRD2HTR1AHTR2C
SCHEMBL7053717 0.80 DRD3 (0.71) SLC6A4DRD3HTR2ADRD2HTR1A
SCHEMBL1039928 0.80 DRD3 (1.00) SLC6A4DRD3HTR2ADRD2HTR1A
SCHEMBL28071107 0.78 PLD1 (0.62) DRD3HTR2ADRD2HTR1AHTR2C
SCHEMBL7058620 0.78 DRD2 (0.69) SLC6A4DRD3HTR2ADRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US claimed
EP-1836192-A2 ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS Universita' Degli Studi di Siena (IT) 2007-09-26 EP claimed
WO-2006072608-A2 ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS UNIVERSITÁ DEGLI STUDI DI SIENA (IT) 2006-07-13 WO claimed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US disclosed
EP-1836192-A2 ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS Universita' Degli Studi di Siena (IT) 2007-09-26 EP disclosed
WO-2006072608-A2 ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS UNIVERSITÁ DEGLI STUDI DI SIENA (IT) 2006-07-13 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-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 SLC6A4 27/4885DRD3 10/4885HTR2A 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.