SCHEMBL17238552

SCHEMBL17238552

COc1ccc(CN2CC(C)(C)O[C@H]([C@@H](O)C(=O)OC(C)(C)C)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.43
OPRL1 P41146 7/20 0.43
MMP1 P03956 1/20 0.40
MMP13 P45452 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.39
AR P10275 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
GRM2 Q14416 1/20 0.38
MAPK1 P28482 1/20 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
SCHEMBL17238555 1.00 OPRM1 (0.43) OPRM1OPRL1MMP1MMP13CYP3A4
SCHEMBL17238551 1.00 OPRM1 (0.43) OPRM1OPRL1MMP1MMP13CYP3A4
SCHEMBL17238560 0.90 MMP1 (0.45) OPRM1OPRL1MMP1MMP13CYP3A4
SCHEMBL17238564 0.90 MMP1 (0.45) OPRM1OPRL1MMP1MMP13CYP3A4
SCHEMBL17238563 0.90 MMP1 (0.45) OPRM1OPRL1MMP1MMP13CYP3A4
SCHEMBL17238331 0.87 MMP1 (0.43) OPRM1OPRL1MMP1MMP13CYP3A4
SCHEMBL17238332 0.87 MMP1 (0.43) OPRM1OPRL1MMP1MMP13CYP3A4
SCHEMBL17238272 0.87 MMP1 (0.43) OPRM1OPRL1MMP1MMP13CYP3A4
SCHEMBL15819471 0.87 MMP1 (0.43) OPRM1OPRL1MMP1MMP13CYP3A4
SCHEMBL15819650 0.83 F9 (0.47) OPRM1OPRL1MMP1MMP13CYP3A4

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
EP-2934538-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2021-03-31 EP disclosed
EP-2934537-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2018-04-04 EP disclosed
US-9914727-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-03-13 US disclosed
US-9708308-B2 Factor IXa inhibitors MERCK SHARP DOHME CORP. (US) 2017-07-18 US disclosed
US-20150329562-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-19 US disclosed
US-20150322056-A1 Factor IXa Inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-11-12 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 (2 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-20150322056-A1 Factor IXa Inhibitors F9, F12, F8 OPRM1 1426/4885OPRL1 2254/4885MMP1 2351/4885
US-20150329562-A1 Factor IXa Inhibitors F12, F9, F11 OPRM1 3260/4885OPRL1 3823/4885MMP1 202/4885

“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.