SCHEMBL4525293

SCHEMBL4525293

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 1.00
DRD2 P14416 7/20 0.78
HTR1A P08908 12/20 0.74
HTR2A P28223 4/20 0.68
HTR7 P34969 4/20 0.68
HTR6 P50406 3/20 0.68
DRD4 P21917 2/20 0.65
ADRA2A P08913 1/20 0.65
ADRA2C P18825 1/20 0.65
HRH2 P25021 1/20 0.65
HTR1B P28222 1/20 0.65
ADRA1A P35348 1/20 0.65
HRH1 P35367 1/20 0.65
ADRA1B P35368 1/20 0.65
HTR2B P41595 1/20 0.65
SIGMAR1 Q99720 1/20 0.65
DRD1 P21728 1/20 0.63
DRD3 P35462 1/20 0.63

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
SCHEMBL4530285 0.93 KCNH2 (0.86) KCNH2DRD2HTR1AHTR2AHTR7
SCHEMBL4536392 0.93 KCNH2 (0.86) KCNH2DRD2HTR1AHTR2AHTR7
SCHEMBL4524281 0.92 KCNH2 (1.00) KCNH2DRD2HTR1ADRD4
SCHEMBL3198597 0.91 KCNH2 (0.84) KCNH2DRD2HTR1AHTR2AHTR7
SCHEMBL30873546 0.91 KCNH2 (0.84) KCNH2DRD2HTR1AHTR2AHTR7
SCHEMBL27895403 0.91 KCNH2 (0.84) KCNH2DRD2HTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL3212440 0.90 KCNH2 (0.82) KCNH2DRD2HTR1AHTR2AHTR7
SCHEMBL8785239 0.90 KCNH2 (0.81) KCNH2DRD2HTR1AHTR2AHTR7
SCHEMBL10835591 0.90 KCNH2 (0.81) KCNH2DRD2HTR1AHTR2AHTR7
SCHEMBL11404382 0.90 KCNH2 (0.81) KCNH2DRD2HTR1AHTR2AHTR7

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 2 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

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 769/4885DRD2 3/4885HTR1A 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.