SCHEMBL2123804

SCHEMBL2123804

Cc1ccc(C(NC(=O)c2c(C)cccc2C)C23CCC(CC2)N3C(=O)OC(C)(C)C)o1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 18/20 0.62
SLC6A5 Q9Y345 1/20 0.43
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35

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
SCHEMBL3714198 0.86 SLC6A9 (0.68) SLC6A9SLC6A5
SCHEMBL2605309 0.86 SLC6A9 (0.68) SLC6A9SLC6A5
SCHEMBL2124927 0.82 SLC6A9 (0.74) SLC6A9SLC6A5
SCHEMBL2124924 0.79 SLC6A9 (0.37) SLC6A9CXCR1CXCR2
SCHEMBL2126024 0.78 SLC6A9 (0.35) SLC6A9CXCR1CXCR2
SCHEMBL7889223 0.77 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL3703831 0.77 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL7900645 0.77 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL2125152 0.73 SLC6A9 (0.71) SLC6A9SLC6A5CXCR1CXCR2
SCHEMBL3714307 0.72 SLC6A9 (0.78) SLC6A9SLC6A5

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
US-20120094995-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2012-04-19 US disclosed
US-20120094995-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2012-04-19 US disclosed
US-20120094995-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2012-04-19 US disclosed
EP-2391628-A1 2-AZA-BICYCLOÝ2.2.1¨HEPTANE COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2011-12-07 EP disclosed
WO-2010087762-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-08-05 WO disclosed
WO-2010087762-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-08-05 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-20120094995-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF SLC1A2, B4GALT1, SLC6A1 SLC6A9 50/4885SLC6A5 33/4885CXCR1 994/4885

“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.