SCHEMBL6491735

SCHEMBL6491735

COc1ccc(Cl)c2c1CCC(CN1CCC(c3ccccc3)CC1)C2=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.42
HTR7 P34969 1/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
DRD2 P14416 1/20 0.41
HTR1A P08908 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
SLC18A3 Q16572 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39

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
Hydrochloric Acid SCHEMBL11724584 0.85 HSP90AA1 (0.40) HTR1ASIGMAR1
SCHEMBL6502613 0.82 CYP19A1 (0.55) CCR5HTR7HTR1ASIGMAR1
SCHEMBL6502755 0.78 SIGMAR1 (0.53) CCR5HTR7DRD2HTR1ASIGMAR1
SCHEMBL6502043 0.73 CYP24A1 (0.60) DRD2HTR1ASIGMAR1
SCHEMBL6492064 0.72 SIGMAR1 (0.70) DRD2HTR1ASIGMAR1
SCHEMBL6076000 0.71 HTR7 (0.68) CCR5HTR7ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL6490470 0.70 HTR7 (0.67) CCR5HTR7ADRA1DADRA1AADRA1B
SCHEMBL6502513 0.67 SIGMAR1 (0.54) DRD2HTR1ASIGMAR1SLC18A3
SCHEMBL6501747 0.67 SIGMAR1 (0.53) CCR5DRD2HTR1ASIGMAR1SLC18A3
SCHEMBL6491622 0.67 SIGMAR1 (0.50) DRD2HTR1ASIGMAR1

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 CCR5 206/4885HTR7 1189/4885ADRA1D 65/4885

“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.