SCHEMBL4513205

SCHEMBL4513205

O=C(NCCCCN1CCN(c2ccccc2)CC1)N1CCc2ccccc2C1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 13/20 0.74
DRD2 P14416 10/20 0.74
DRD4 P21917 1/20 0.58
HTR1A P08908 4/20 0.58
HTR2A P28223 3/20 0.58
NAMPT P43490 1/20 0.55
HTR7 P34969 1/20 0.55
PRMT5 O14744 1/20 0.54
WDR77 Q9BQA1 1/20 0.54

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
SCHEMBL4527921 0.89 DRD3 (0.63) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL16463565 0.86 DRD2 (1.00) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL3730702 0.81 NAMPT (0.56) DRD3DRD2NAMPTPRMT5WDR77
SCHEMBL314986 0.80 DRD2 (0.83) DRD3DRD2DRD4HTR2A
SCHEMBL17117322 0.79 NAMPT (0.82) NAMPT
SCHEMBL3704595 0.77 NAMPT (0.82) NAMPT
SCHEMBL17117223 0.77 NAMPT (0.82) NAMPT
SCHEMBL6081560 0.77 NAMPT (0.72) NAMPTPRMT5WDR77
SCHEMBL3721059 0.77 PRMT5 (0.54) DRD3DRD2HTR2ANAMPTPRMT5
SCHEMBL5658383 0.76 HTR1A (0.67) DRD2HTR1AHTR7

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 3 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 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 10/4885DRD2 3/4885DRD4 19/4885

“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.