SCHEMBL6500564

SCHEMBL6500564

OC1c2ccc(OCc3ccccc3-c3ccccc3)cc2CCC1CN1CCC(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 8/20 0.47
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
CCR5 P51681 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
SLC18A3 Q16572 2/20 0.41

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
SCHEMBL8202802 0.91 ADRA1D (0.46) CD274GRIN1GRIN2BADRA1DADRA1A
SCHEMBL8202799 0.91 ADRA1D (0.46) CD274GRIN1GRIN2BADRA1DADRA1A
SCHEMBL8202807 0.91 ADRA1D (0.46) CD274GRIN1GRIN2BADRA1DADRA1A
SCHEMBL8199718 0.82 SLC6A9 (0.53) GRIN1GRIN2BCCR5SLC18A3
SCHEMBL8199717 0.82 SLC6A9 (0.53) GRIN1GRIN2BCCR5SLC18A3
SCHEMBL6490328 0.82 SLC6A9 (0.53) GRIN1GRIN2BCCR5SLC18A3
SCHEMBL8198774 0.78 GRIN1 (0.58) GRIN1GRIN2BADRA1DADRA1AADRA1B
SCHEMBL8198773 0.78 GRIN1 (0.58) GRIN1GRIN2BADRA1DADRA1AADRA1B
SCHEMBL8198776 0.78 GRIN1 (0.58) GRIN1GRIN2BADRA1DADRA1AADRA1B
SCHEMBL8199368 0.76 CYP26A1 (0.49) CD274ADRA1DADRA1AADRA1B

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 CD274 1144/4885GRIN1 400/4885GRIN2B 1528/4885

“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.