SCHEMBL4533617

SCHEMBL4533617

Cc1cccc(N2CCN(CCCCCCN3CCN(c4ccnc5ccccc45)CC3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 1.00
DRD3 P35462 6/20 0.58
DRD2 P14416 4/20 0.58
HTR1A P08908 7/20 0.52
HTR7 P34969 6/20 0.52
CYP3A4 P08684 1/20 0.51
CHRM1 P11229 1/20 0.51
OPRK1 P41145 1/20 0.51
PDE4D Q08499 1/20 0.51
PDE3A Q14432 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50

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
SCHEMBL4527749 0.87 KCNH2 (1.00) KCNH2DRD3DRD2HTR1AHTR7
SCHEMBL4519876 0.81 KCNH2 (1.00) KCNH2HTR7
SCHEMBL4523970 0.80 KCNH2 (1.00) KCNH2HTR7
SCHEMBL17005636 0.79 KCNH2 (0.75) KCNH2DRD3DRD2CYP3A4CHRM1
SCHEMBL4524443 0.78 KCNH2 (1.00) KCNH2DRD3DRD2HTR1AHTR7
SCHEMBL17192211 0.77 KCNH2 (0.67) KCNH2DRD3HTR1AHTR2AHTR2C
SCHEMBL13711984 0.77 KCNH2 (0.62) KCNH2DRD3DRD2HTR1AHTR7
SCHEMBL13987033 0.76 KCNH2 (0.61) KCNH2DRD3DRD2HTR1AHTR7
SCHEMBL17192200 0.76 DRD3 (0.72) KCNH2DRD3DRD2HTR1AHTR7
SCHEMBL17192207 0.76 KCNH2 (0.64) KCNH2DRD3HTR1AHTR2AHTR2C

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 KCNH2 769/4885DRD3 10/4885DRD2 3/4885

“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.