SCHEMBL803714

SCHEMBL803714

CC(C)(C)OC(=O)N[C@@H]1CCc2c(F)cc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.38
▸ AAK1 Q2M2I8 5/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ RORC P51449 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ BDKRB1 P46663 1/20 0.34
▸ BTK Q06187 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL883766 0.85 GAA (0.40) GAANFKB1NFKB2RELARORC
Acetic Acid SCHEMBL28780395 0.84 GAA (0.40) GAANFKB1NFKB2RELARORC
SCHEMBL785315 0.84 RORC (0.42) GAANFKB1NFKB2RELARORC
SCHEMBL785741 0.83 GAA (0.41) GAAUSP30NFKB1NFKB2RELA
SCHEMBL785742 0.83 GAA (0.41) GAAUSP30NFKB1NFKB2RELA
SCHEMBL29842780 0.83 GAA (0.42) GAAUSP30AAK1NFKB1NFKB2
SCHEMBL29129944 0.83 GAA (0.42) GAAUSP30AAK1NFKB1NFKB2
SCHEMBL29129943 0.83 GAA (0.42) GAAUSP30AAK1NFKB1NFKB2
SCHEMBL29842621 0.81 SCN9A (0.44) GAA
SCHEMBL29129949 0.81 SCN9A (0.44) GAA

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 GAA 3227/4885USP30 4164/4885AAK1 1960/4885

“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.

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