SCHEMBL20397185

SCHEMBL20397185

CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3ccc(S(N)(=O)=O)cc3F)C[C@]2(F)C1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.65
GPR119 Q8TDV5 8/20 0.40
USP30 Q70CQ3 1/20 0.39
CHRNA7 P36544 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GAA P10253 1/20 0.37
RORC P51449 1/20 0.36
STS P08842 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL18668643 1.00 CA2 (0.65) CA2GPR119USP30CHRNA7CA12
SCHEMBL18668645 1.00 CA2 (0.65) CA2GPR119USP30CHRNA7CA12
SCHEMBL23620982 0.82 GPR119 (0.52) CA2GPR119CHRNA7CA12CA1
SCHEMBL18668482 0.81 CA2 (0.56) CA2GPR119USP30CHRNA7CA12
SCHEMBL20398030 0.79 CA2 (1.00) CA2CA12CA1CA7
SCHEMBL18668733 0.79 CA2 (1.00) CA2CA12CA1CA7
SCHEMBL18689042 0.79 CA2 (1.00) CA2CA12CA1CA7
SCHEMBL20398094 0.78 CA2 (0.57) CA2CHRNA7CA12CA1CA7
SCHEMBL20398095 0.78 CA2 (0.57) CA2CHRNA7CA12CA1CA7
SCHEMBL29963379 0.78 CA2 (0.57) CA2CHRNA7CA12CA1CA7

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124538-A Bicyclic compounds as ATX inhibitors 豪夫迈·罗氏有限公司 2022-09-30 CN disclosed
EP-3353180-B1 BICYCLIC COMPOUNDS AS ATX INHIBITORS HOFFMANN LA ROCHE (CH) 2022-03-16 EP disclosed
EP-3353181-B1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-11 EP disclosed
US-10889588-B2 Bicyclic compounds as dual ATX/CA inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-01-12 US disclosed
US-10787459-B2 Bicyclic compounds as ATX inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-09-29 US disclosed
US-20200291038-A1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-17 US disclosed
US-10738053-B2 Bicyclic compounds as dual ATX/CA inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-08-11 US disclosed
US-20200079779-A1 NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-03-12 US disclosed
US-20180208602-A1 NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-07-26 US disclosed
US-20180208601-A1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-07-26 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 (7 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-20180208602-A1 NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS ATXN2, ATXN10, ATXN2L CA2 3500/4885GPR119 1521/4885USP30 2930/4885
US-20200079779-A1 NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS ATXN2, ATXN10, ATXN2L CA2 3500/4885GPR119 1521/4885USP30 2930/4885
US-10787459-B2 Bicyclic compounds as ATX inhibitors ATXN2, ATXN10, ATXN2L CA2 3341/4885GPR119 1762/4885USP30 2724/4885
US-20180208601-A1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS ATXN2, ATXN2L, ATXN10 CA2 215/4885GPR119 2746/4885USP30 2043/4885
US-20200291038-A1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS ATXN2, ATXN2L, ATXN10 CA2 215/4885GPR119 2746/4885USP30 2043/4885
US-10738053-B2 Bicyclic compounds as dual ATX/CA inhibitors ATXN2, ATXN2L, ATXN10 CA2 215/4885GPR119 2746/4885USP30 2043/4885
US-10889588-B2 Bicyclic compounds as dual ATX/CA inhibitors ATXN2, ATXN2L, ATXN10 CA2 215/4885GPR119 2746/4885USP30 2043/4885

“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.