SCHEMBL17112481

SCHEMBL17112481

O=C(O)c1cnc(OC2CCOC2)c(C2CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATXN2 Q99700 11/20 0.58
CNR2 P34972 1/20 0.41
GRM4 Q14833 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
TYK2 P29597 3/20 0.37

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
SCHEMBL17112552 0.93 ATXN2 (0.59) ATXN2CNR2
SCHEMBL17112461 0.92 ATXN2 (0.57) ATXN2CNR2
SCHEMBL17112460 0.84 ATXN2 (0.43) ATXN2GRM4MAPK1MAPK8MAPK9
SCHEMBL29663877 0.84 ATXN2 (0.43) ATXN2GRM4MAPK1MAPK8MAPK9
SCHEMBL14784457 0.83 CA2 (0.47) ATXN2
SCHEMBL7362112 0.79 PDE4D (0.50)
SCHEMBL28737011 0.79 ATXN2 (0.47) ATXN2CNR2GRM4
SCHEMBL17112470 0.78 ATXN2 (0.39) ATXN2GRM4MAPK1MAPK8MAPK9
SCHEMBL31705706 0.77 ACACB (0.46) ATXN2
SCHEMBL31704643 0.77 ACACB (0.46) ATXN2

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-110204550-B Bicyclic compounds as Autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors 豪夫迈·罗氏有限公司 2022-05-17 CN disclosed
US-20200216457-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-07-09 US disclosed
US-10654857-B2 Bicyclic compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors HOFFMAN-LA ROCHE INC. (US) 2020-05-19 US disclosed
EP-3122750-B1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN LA ROCHE (CH) 2019-09-04 EP disclosed
US-20190144457-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-05-16 US disclosed
US-20180111941-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-04-26 US disclosed
US-9802944-B2 Bicyclic compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-10-31 US disclosed
EP-3122750-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS F. Hoffmann-La Roche AG (CH) 2017-02-01 EP disclosed
US-20170008900-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2017-01-12 US disclosed
WO-2015144605-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-01 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 (5 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-10654857-B2 Bicyclic compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors ENPP2, LPAR1, LPAR2 ATXN2 41/4885CNR2 891/4885GRM4 4409/4885
US-20170008900-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS ENPP2, LPAR1, LPAR2 ATXN2 41/4885CNR2 891/4885GRM4 4409/4885
US-20200216457-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS ENPP2, LPAR1, LPAR2 ATXN2 41/4885CNR2 891/4885GRM4 4409/4885
US-20180111941-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS ENPP2, LPAR1, LPAR2 ATXN2 41/4885CNR2 891/4885GRM4 4409/4885
US-20190144457-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS ENPP2, LPAR1, LPAR2 ATXN2 41/4885CNR2 891/4885GRM4 4409/4885

“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.