SCHEMBL6490328

SCHEMBL6490328

COc1ccc2c(c1)CCC(CN1CCC(c3ccccc3)CC1)C2O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.53
CCR5 P51681 1/20 0.52
SLC18A3 Q16572 2/20 0.48
DRD2 P14416 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
HTR1A P08908 1/20 0.46
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 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
SCHEMBL8199717 1.00 SLC6A9 (0.53) SLC6A9CCR5SLC18A3DRD2SIGMAR1
SCHEMBL8199718 1.00 SLC6A9 (0.53) SLC6A9CCR5SLC18A3DRD2SIGMAR1
SCHEMBL8236868 0.90 SLC6A9 (0.51) SLC6A9DRD2GRIN1GRIN2B
SCHEMBL5904205 0.85 SLC6A9 (0.46) SLC6A9SIGMAR1
SCHEMBL11525123 0.82 MAPT (0.46) SLC6A9
SCHEMBL6500564 0.82 CD274 (0.47) CCR5SLC18A3GRIN1GRIN2B
SCHEMBL8203174 0.79 HRH3 (0.45) SLC18A3DRD2SIGMAR1GRIN1GRIN2B
SCHEMBL8203170 0.79 HRH3 (0.45) SLC18A3DRD2SIGMAR1GRIN1GRIN2B
SCHEMBL8203171 0.79 HRH3 (0.45) SLC18A3DRD2SIGMAR1GRIN1GRIN2B
Hydrochloric Acid SCHEMBL9520222 0.78 ADRA2A (0.46) DRD2SIGMAR1HTR1ACA1CA2

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 3 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
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 SLC6A9 1210/4885CCR5 206/4885SLC18A3 2454/4885

“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.