SCHEMBL4525601

SCHEMBL4525601

Cc1cccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)c1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.72
DRD3 P35462 10/20 0.72
DRD2 P14416 8/20 0.72
HTR2A P28223 6/20 0.69
HTR1A P08908 5/20 0.69
HTR2C P28335 3/20 0.69
KCNH2 Q12809 3/20 0.69
DRD4 P21917 1/20 0.67
HRH1 P35367 1/20 0.64
ADRA1A P35348 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
SCHEMBL31061220 0.88 DRD3 (0.84) DRD3DRD2HTR2AHTR1AHTR2C
SCHEMBL4521840 0.87 DRD4 (0.77) DRD3DRD2HTR2AHTR1AHTR2C
SCHEMBL7058045 0.85 DRD2 (0.75) HSD17B10DRD3DRD2HTR2AHTR1A
SCHEMBL7369877 0.84 DRD3 (0.77) HSD17B10DRD3DRD2HTR2AHTR1A
SCHEMBL4522741 0.84 HTR1A (0.79) DRD3DRD2HTR2AHTR1AHTR2C
SCHEMBL11065784 0.83 KCNH2 (0.62) HSD17B10DRD3DRD2HTR2AHTR1A
SCHEMBL8475402 0.83 DRD3 (0.60) HSD17B10DRD3DRD2HTR2AHTR1A
SCHEMBL13711963 0.83 HTR2A (0.80) DRD3DRD2HTR2AHTR1AHTR2C
SCHEMBL7132544 0.83 DRD2 (0.74) DRD3DRD2HTR2AHTR1AHTR2C
SCHEMBL10720723 0.82 HSD17B10 (0.68) HSD17B10DRD2HTR2ADRD4HRH1

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 HSD17B10 2475/4885DRD3 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.