SCHEMBL4522741

SCHEMBL4522741

Cc1cccc(N2CCN(CCCCNC(=O)c3ccccn3)CC2)c1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.79
HTR2A P28223 7/20 0.79
DRD3 P35462 7/20 0.79
HTR2C P28335 4/20 0.75
DRD2 P14416 3/20 0.75
KCNH2 Q12809 2/20 0.64
DRD1 P21728 1/20 0.63

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
SCHEMBL4523269 0.88 HTR1A (1.00) HTR1AHTR2ADRD3HTR2C
SCHEMBL4535020 0.88 HTR1A (1.00) HTR1AHTR2ADRD3HTR2CDRD2
SCHEMBL13711963 0.87 HTR2A (0.80) HTR1AHTR2ADRD3HTR2CDRD2
SCHEMBL4532335 0.85 DRD3 (1.00) HTR1AHTR2ADRD3HTR2CDRD2
SCHEMBL4525601 0.84 HSD17B10 (0.72) HTR1AHTR2ADRD3HTR2CDRD2
SCHEMBL4522867 0.83 DRD3 (1.00) HTR1AHTR2ADRD3HTR2CDRD2
SCHEMBL4525524 0.82 HTR1A (1.00) HTR1AHTR2ADRD3HTR2CDRD2
SCHEMBL7044389 0.78 DRD2 (0.68) HTR1AHTR2ADRD3DRD2DRD1
SCHEMBL4514421 0.78 HTR1A (1.00) HTR1AHTR2ADRD3HTR2CDRD2
SCHEMBL4522956 0.78 DRD3 (1.00) HTR1AHTR2ADRD3HTR2CDRD2

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 7 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
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 HTR1A 15/4885HTR2A 2/4885DRD3 10/4885

“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.