SCHEMBL4521840

SCHEMBL4521840

COc1cccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)c1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.77
DRD2 P14416 8/20 0.75
DRD3 P35462 10/20 0.74
HTR1A P08908 7/20 0.74
HTR2A P28223 7/20 0.74
HTR2C P28335 5/20 0.71

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
SCHEMBL4525601 0.87 HSD17B10 (0.72) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL31061220 0.86 DRD3 (0.84) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL7369645 0.86 KDM4E (0.70) DRD4DRD2DRD3
SCHEMBL4521349 0.85 DRD3 (0.73) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL4535020 0.85 HTR1A (1.00) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL12946331 0.84 DRD3 (0.64) DRD4DRD2DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL7438447 0.84 DRD3 (0.68) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL4530221 0.83 DRD3 (1.00) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL4537278 0.83 DRD3 (1.00) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL4531568 0.83 DRD3 (1.00) DRD4DRD2DRD3HTR1AHTR2A

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 DRD4 19/4885DRD2 3/4885DRD3 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.