SCHEMBL14974802

SCHEMBL14974802

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.34
TAAR1 Q96RJ0 2/20 0.34
KIF11 P52732 1/20 0.34
ESR1 P03372 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
PGR P06401 1/20 0.33
AOC3 Q16853 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32

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
SCHEMBL669655 0.79 KCNH2 (0.38) HTR2ATAAR1KIF11ESR1ALDH1A1
SCHEMBL669373 0.79 KCNH2 (0.38) HTR2ATAAR1KIF11ESR1ALDH1A1
SCHEMBL14984858 0.79 KCNH2 (0.38) HTR2ATAAR1KIF11ESR1ALDH1A1
SCHEMBL14974361 0.79 KCNH2 (0.38) HTR2ATAAR1KIF11ESR1ALDH1A1
SCHEMBL669656 0.77 HTR2A (0.36) HTR2ATAAR1KIF11ALDH1A1AOC3
SCHEMBL14987837 0.74 HTR2A (0.37) HTR2ATAAR1KIF11ESR1ALDH1A1
SCHEMBL17750791 0.74 CYP2D6 (0.40) HTR2ATAAR1KIF11ALDH1A1AOC3
SCHEMBL22454446 0.74 CYP2D6 (0.40) HTR2ATAAR1KIF11ALDH1A1AOC3
SCHEMBL755809 0.74 KCNH2 (0.46) HTR2AALDH1A1MTNR1AMTNR1BAOC3
SCHEMBL14516176 0.74 KCNH2 (0.46) HTR2AALDH1A1MTNR1AMTNR1BAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853456-B2 Process for the preparation of tapentadol INDOCO REMEDIES LIMITED (US) 2014-10-07 US disclosed
US-20130137890-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LIMITED (IN) 2013-05-30 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-20130137890-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL OPRD1, OPRM1, OPRK1 HTR2A 309/4885TAAR1 18/4885KIF11 2761/4885

“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.