SCHEMBL4524281

SCHEMBL4524281

COc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(Cl)c4)CC3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 1.00
MAPT P10636 1/20 0.69
TSHR P16473 1/20 0.69
HTR1A P08908 3/20 0.69
ABCB1 P08183 3/20 0.68
DRD2 P14416 2/20 0.67
DRD4 P21917 3/20 0.65
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64

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
SCHEMBL13711973 0.93 KCNH2 (0.87) KCNH2MAPTTSHRABCB1DRD2
SCHEMBL4525293 0.92 KCNH2 (1.00) KCNH2HTR1ADRD2DRD4
SCHEMBL4525555 0.89 KCNH2 (1.00) KCNH2HTR1ADRD2
SCHEMBL7350903 0.87 KCNH2 (0.76) KCNH2MAPTTSHRHTR1ADRD2
SCHEMBL4530285 0.85 KCNH2 (0.86) KCNH2HTR1ADRD2DRD4
SCHEMBL4536392 0.85 KCNH2 (0.86) KCNH2HTR1ADRD2DRD4
SCHEMBL10835591 0.85 KCNH2 (0.81) KCNH2MAPTTSHRHTR1ADRD2
SCHEMBL2214111 0.85 KCNH2 (0.86) KCNH2HTR1ADRD2DRD4KDM4E
SCHEMBL30767216 0.84 KCNH2 (0.90) KCNH2HTR1ADRD2
SCHEMBL27715320 0.84 KCNH2 (0.72) KCNH2HTR1AABCB1DRD2

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 769/4885MAPT 2081/4885TSHR 262/4885

“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.