SCHEMBL4535451

SCHEMBL4535451

Clc1cccc(N2CCN(CCCCCOc3cc4ccccc4cn3)CC2)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 1.00
KCNH2 Q12809 3/20 1.00
DRD2 P14416 15/20 0.69
HTR1A P08908 7/20 0.69
HTR2A P28223 7/20 0.69
DRD4 P21917 3/20 0.63
HTR7 P34969 1/20 0.62
HTR6 P50406 1/20 0.62
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56

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
SCHEMBL4533757 0.99 DRD3 (1.00) DRD3KCNH2DRD2HTR1AHTR2A
SCHEMBL4524712 0.82 KCNH2 (0.70) DRD3KCNH2DRD2HTR1AHTR7
SCHEMBL5379573 0.82 DRD2 (1.00) DRD3KCNH2DRD2HTR1AHTR2A
SCHEMBL15546332 0.78 DRD2 (0.74) DRD3KCNH2DRD2HTR1AHTR2A
SCHEMBL4244520 0.78 DRD2 (0.67) DRD3KCNH2DRD2HTR1AHTR2A
SCHEMBL4523316 0.78 KCNH2 (0.64) DRD3KCNH2DRD2HTR1AHTR2A
SCHEMBL4529646 0.78 KCNH2 (0.68) DRD3KCNH2DRD2HTR1AHTR2A
SCHEMBL5826339 0.78 DRD3 (0.65) DRD3KCNH2DRD2HTR1AHTR2A
SCHEMBL15532889 0.78 DRD2 (0.65) DRD3KCNH2DRD2HTR1AHTR2A
SCHEMBL3606509 0.78 DRD3 (1.00) DRD3KCNH2DRD2HTR1AHTR2A

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 DRD3 10/4885KCNH2 769/4885DRD2 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.