SCHEMBL4525555

SCHEMBL4525555

Clc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(Cl)c4)CC3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 1.00
SIGMAR1 Q99720 2/20 0.74
HTR1A P08908 4/20 0.73
DRD2 P14416 3/20 0.73
HTR2A P28223 3/20 0.73
HTR7 P34969 3/20 0.73
HTR6 P50406 3/20 0.73

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
SCHEMBL30767216 0.95 KCNH2 (0.90) KCNH2SIGMAR1HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL7658247 0.93 KCNH2 (0.88) KCNH2SIGMAR1HTR1ADRD2HTR2A
SCHEMBL2214111 0.93 KCNH2 (0.86) KCNH2SIGMAR1HTR1ADRD2HTR2A
SCHEMBL8121567 0.92 KCNH2 (0.85) KCNH2SIGMAR1HTR1ADRD2HTR2A
SCHEMBL13875118 0.91 KCNH2 (0.83) KCNH2SIGMAR1HTR1ADRD2HTR2A
SCHEMBL3187894 0.91 KCNH2 (0.83) KCNH2SIGMAR1HTR1ADRD2HTR2A
SCHEMBL7484502 0.91 KCNH2 (0.83) KCNH2SIGMAR1HTR1ADRD2HTR2A
SCHEMBL267526 0.90 KCNH2 (0.82) KCNH2SIGMAR1HTR1ADRD2HTR2A
SCHEMBL29739753 0.90 KCNH2 (0.82) KCNH2SIGMAR1HTR1ADRD2HTR2A
SCHEMBL16939690 0.89 KCNH2 (0.80) KCNH2SIGMAR1HTR1ADRD2HTR2A

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 4 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
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 769/4885SIGMAR1 204/4885HTR1A 15/4885

“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.