SCHEMBL2154689

SCHEMBL2154689

CC[C@@H](c1cccc(OC)c1)[C@@H](C)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
MTNR1A P48039 7/20 0.48
MTNR1B P49286 7/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
AOC3 Q16853 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CASR P41180 1/20 0.45

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
SCHEMBL2154692 1.00 L3MBTL1 (0.49) L3MBTL1MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL2178071 0.90 L3MBTL1 (0.53) L3MBTL1MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL30786879 0.87 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1B
SCHEMBL2178238 0.87 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1B
SCHEMBL2176161 0.87 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1B
SCHEMBL2322439 0.87 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1B
SCHEMBL2176160 0.87 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1B
SCHEMBL2180203 0.86 L3MBTL1 (0.49) L3MBTL1MTNR1AMTNR1BAOC3MEN1
SCHEMBL15474100 0.86 L3MBTL1 (0.56) L3MBTL1MTNR1AMTNR1BALDH1A1AOC3
SCHEMBL2180325 0.86 L3MBTL1 (0.49) L3MBTL1MTNR1AMTNR1BAOC3MEN1

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-2519100-B1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS MAPI PHARMA LTD (IL) 2017-03-15 EP disclosed
US-8410176-B2 Intermediate compounds and processes for the preparation of tapentadol and related compounds MAPI PHARMA LTD. (IL) 2013-04-02 US disclosed
US-20120283463-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS MAPI PHARMA LIMITED (IL) 2012-11-08 US disclosed
EP-2519100-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS Mapi Pharma Limited (IL) 2012-11-07 EP disclosed
WO-2011092719-A2 PROCESS FOR THE PREPARATION OF L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-08-04 WO disclosed
WO-2011080736-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS MAPI PHARMA HK LIMITED (CN) 2011-07-07 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 (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-20120283463-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS PNMT, OPRK1, CYP2E1 L3MBTL1 4570/4885MTNR1A 57/4885MTNR1B 61/4885

“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.