SCHEMBL2605403

SCHEMBL2605403

Cc1cccc(C)c1C(=O)N[C@H](c1cncnc1)C12CCC(CC1)N2

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 18/20 0.78
SLC6A5 Q9Y345 1/20 0.44
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7893662 1.00 SLC6A9 (0.78) SLC6A9SLC6A5ITGB2ICAM1ITGAL
SCHEMBL2605221 0.90 SLC6A9 (0.80) SLC6A9SLC6A5ITGB2ICAM1ITGAL
SCHEMBL2605198 0.88 SLC6A9 (1.00) SLC6A9SLC6A5ITGB2ICAM1ITGAL
SCHEMBL2605352 0.88 SLC6A9 (1.00) SLC6A9SLC6A5ITGB2ICAM1ITGAL
SCHEMBL2605274 0.88 SLC6A9 (0.64) SLC6A9SLC6A5
SCHEMBL2605303 0.86 SLC6A9 (1.00) SLC6A9SLC6A5L3MBTL1
SCHEMBL2605184 0.86 SLC6A9 (1.00) SLC6A9SLC6A5L3MBTL1
SCHEMBL2605297 0.86 SLC6A9 (0.74) SLC6A9SLC6A5
SCHEMBL2605263 0.84 SLC6A9 (0.72) SLC6A9SLC6A5
SCHEMBL2605283 0.84 SLC6A9 (0.70) 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 2 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

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 33/4885ITGB2 1816/4885

“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.