SCHEMBL4524443

SCHEMBL4524443

Cc1cccc(N2CCN(CCCCCCN3CCN(c4ccccn4)CC3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 1.00
ALDH1A1 P00352 1/20 0.62
DRD2 P14416 6/20 0.57
DRD4 P21917 5/20 0.57
DRD3 P35462 3/20 0.57
HTR1A P08908 3/20 0.56
POLB P06746 1/20 0.56
HTR2A P28223 2/20 0.55
HTR7 P34969 2/20 0.55
HTR6 P50406 1/20 0.55

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
SCHEMBL13711985 0.94 KCNH2 (0.88) KCNH2ALDH1A1DRD2DRD4DRD3
SCHEMBL4512352 0.86 KCNH2 (1.00) KCNH2DRD2DRD4DRD3HTR1A
SCHEMBL4519876 0.85 KCNH2 (1.00) KCNH2HTR7
SCHEMBL4523970 0.84 KCNH2 (1.00) KCNH2HTR7
SCHEMBL26107525 0.84 KCNH2 (0.85) KCNH2DRD2DRD4DRD3HTR1A
SCHEMBL26108725 0.84 KCNH2 (0.85) KCNH2DRD2DRD4DRD3HTR1A
SCHEMBL4519313 0.84 KCNH2 (0.85) KCNH2DRD2DRD4DRD3HTR1A
SCHEMBL4521524 0.84 KCNH2 (1.00) KCNH2DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL26108256 0.83 KCNH2 (0.83) KCNH2DRD2DRD4DRD3HTR1A
SCHEMBL27715352 0.80 KCNH2 (0.74) KCNH2DRD2DRD4DRD3HTR1A

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 KCNH2 769/4885ALDH1A1 1390/4885DRD2 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.