SCHEMBL4536353

SCHEMBL4536353

N#Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 13/20 1.00
KCNH2 Q12809 2/20 1.00
HTR1A P08908 9/20 0.78
HTR2A P28223 9/20 0.78
DRD2 P14416 9/20 0.76
HTR2C P28335 8/20 0.76
HRH3 Q9Y5N1 1/20 0.66
DRD4 P21917 5/20 0.64
DRD1 P21728 2/20 0.64
HTR2B P41595 2/20 0.64
MMP13 P45452 1/20 0.64
SLC6A4 P31645 1/20 0.63
ADRA1D P25100 1/20 0.62
ADRA1A P35348 1/20 0.62
ADRA1B P35368 1/20 0.62

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
SCHEMBL13711946 0.88 DRD3 (1.00) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL4522956 0.86 DRD3 (1.00) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL4522662 0.85 DRD3 (1.00) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL15502198 0.80 MMP13 (0.81) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL4514321 0.79 DRD3 (1.00) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL7055846 0.79 DRD3 (0.73) DRD3KCNH2DRD2DRD4ADRA1A
SCHEMBL8343274 0.79 MMP13 (1.00) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL29677250 0.79 MMP13 (1.00) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL4522964 0.78 DRD3 (1.00) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL4530290 0.78 DRD3 (1.00) DRD3KCNH2HTR1AHTR2ADRD2

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 8 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
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
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 DRD3 10/4885KCNH2 769/4885HTR1A 15/4885

“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.