SCHEMBL4524712

SCHEMBL4524712

Clc1cccc(N2CCN(CCCCCOc3cc4ccccc4cn3)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.70
DRD3 P35462 5/20 0.70
HTR7 P34969 5/20 0.67
HTR1A P08908 4/20 0.67
SLC6A2 P23975 1/20 0.60
SLC6A4 P31645 1/20 0.60
HTR6 P50406 1/20 0.54
ABCB1 P08183 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
DRD2 P14416 2/20 0.53
ADRA1A P35348 1/20 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
SCHEMBL4529646 0.87 KCNH2 (0.68) KCNH2DRD3HTR7HTR1AHTR6
SCHEMBL4523316 0.87 KCNH2 (0.64) KCNH2DRD3HTR7HTR1ADRD2
SCHEMBL4514815 0.85 DRD3 (0.61) KCNH2DRD3HTR7HTR1ASLC6A2
SCHEMBL4535451 0.82 DRD3 (1.00) KCNH2DRD3HTR7HTR1AHTR6
SCHEMBL4533757 0.81 DRD3 (1.00) KCNH2DRD3HTR7HTR1AHTR6
SCHEMBL4525555 0.80 KCNH2 (1.00) KCNH2HTR7HTR1AHTR6SIGMAR1
SCHEMBL4529984 0.78 DRD3 (1.00) KCNH2DRD3HTR1ADRD2ADRA1A
SCHEMBL15545089 0.76 DRD2 (0.71) KCNH2DRD3HTR7HTR1ASLC6A2
SCHEMBL8121567 0.76 KCNH2 (0.85) KCNH2HTR7HTR1ASLC6A2SLC6A4
SCHEMBL30767216 0.76 KCNH2 (0.90) KCNH2HTR7HTR1ASLC6A2SLC6A4

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-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US claimed
CN-101137645-A Arylpiperazine derivatives for the treatment of neuropsychiatric disorders UNIV SIENA (IT) 2008-03-05 CN 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
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US disclosed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US disclosed
CN-101137645-A Arylpiperazine derivatives for the treatment of neuropsychiatric disorders UNIV SIENA (IT) 2008-03-05 CN 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 KCNH2 769/4885DRD3 10/4885HTR7 17/4885

“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.