SCHEMBL6503237

SCHEMBL6503237

O=C1c2ccc(OCCc3ccccc3)cc2CCC1CN1CCC(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.51
MAOB P27338 4/20 0.51
MAOA P21397 3/20 0.51
HTR1A P08908 2/20 0.51
CYP24A1 Q07973 1/20 0.49
DRD2 P14416 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
S1PR1 P21453 1/20 0.46
CCR5 P51681 1/20 0.44
GPR84 Q9NQS5 1/20 0.44

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
SCHEMBL6491492 0.90 ADRA1D (0.54) SIGMAR1MAOBMAOAHTR1ACYP24A1
SCHEMBL8203429 0.89 MAOB (0.59) SIGMAR1MAOBMAOAHTR1ACYP24A1
SCHEMBL6491622 0.85 SIGMAR1 (0.50) SIGMAR1HTR1ACYP24A1DRD2HTR2A
SCHEMBL6502043 0.85 CYP24A1 (0.60) SIGMAR1HTR1ACYP24A1DRD2HTR2A
SCHEMBL8198852 0.81 ADRA1D (0.57) SIGMAR1MAOBMAOACYP24A1DRD2
SCHEMBL8200350 0.80 THRA (0.49) SIGMAR1MAOBMAOACYP24A1DRD2
SCHEMBL6502513 0.80 SIGMAR1 (0.54) SIGMAR1HTR1ACYP24A1DRD2
SCHEMBL6501747 0.79 SIGMAR1 (0.53) SIGMAR1HTR1ADRD2HTR2ACCR5
SCHEMBL8202791 0.79 MAOA (0.58) SIGMAR1MAOBMAOAHTR1ACYP24A1
SCHEMBL6492064 0.79 SIGMAR1 (0.70) SIGMAR1HTR1ADRD2HTR2AHTR2C

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-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

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 50/4885MAOB 2613/4885MAOA 3096/4885

“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.