SCHEMBL6501747

SCHEMBL6501747

O=C1c2ccc(-c3ccccc3)cc2CCC1CN1CCC(c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.53
HTR1A P08908 2/20 0.53
CYP26A1 O43174 2/20 0.51
DGAT1 O75907 1/20 0.48
CCR5 P51681 2/20 0.44
ACHE P22303 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
SLC18A3 Q16572 2/20 0.43
HTR2A P28223 2/20 0.43
DRD2 P14416 1/20 0.42

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
SCHEMBL8199080 0.89 CYP26A1 (0.49) SIGMAR1CYP26A1DGAT1HRH3SLC18A3
SCHEMBL6492064 0.86 SIGMAR1 (0.70) SIGMAR1HTR1AACHEHTR2ADRD2
SCHEMBL6502513 0.84 SIGMAR1 (0.54) SIGMAR1HTR1ACYP26A1ACHESLC18A3
SCHEMBL6491622 0.84 SIGMAR1 (0.50) SIGMAR1HTR1ACYP26A1HTR2ADRD2
SCHEMBL6502043 0.84 CYP24A1 (0.60) SIGMAR1HTR1ACYP26A1HTR2ADRD2
SCHEMBL6491492 0.81 ADRA1D (0.54) SIGMAR1HTR1ACYP26A1HRH3HTR2A
SCHEMBL6503237 0.79 SIGMAR1 (0.51) SIGMAR1HTR1ACCR5HTR2ADRD2
SCHEMBL8200537 0.77 ADRA1D (0.56) SIGMAR1CYP26A1ACHEHTR2ADRD2
SCHEMBL8199307 0.76 CYP26A1 (0.55) SIGMAR1CYP26A1SLC18A3DRD2
SCHEMBL8200296 0.75 ADRA1D (0.50) SIGMAR1CYP26A1ACHEHTR2ADRD2

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
WO-1998036749-A1 TETRALONE DERIVATIVES AS ANTIARRHYTHMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-27 WO claimed
US-6969724-B2 Compounds SMITHKLINE BEECHAM-SPA (GB) 2005-11-29 US disclosed
US-20040024218-A1 Novel compounds SMITHKLINE BEECHAM SPA 2004-02-05 US disclosed
EP-1129072-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS Smithkline Beecham S.p.A. (IT) 2001-09-05 EP disclosed
WO-2000027815-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS SMITHKLINE BEECHAM SPA (IT) 2000-05-18 WO disclosed
US-6048877-A Tetralone derivatives as antiarrhythmic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2000-04-11 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-20040024218-A1 Novel compounds OXER1, CLIC1, CCR1 SIGMAR1 50/4885HTR1A 476/4885CYP26A1 525/4885

“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.