SCHEMBL12099375

SCHEMBL12099375

CCC(OC(=O)C(F)(F)F)(c1cccc(NC(=O)C(F)(F)F)c1)C(C)CN(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
KCNH2 Q12809 2/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
MRGPRX2 Q96LB1 1/20 0.41
CHRM3 P20309 1/20 0.41
HRH2 P25021 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 5/20 0.40
CYP2C19 P33261 4/20 0.40
CYP2C9 P11712 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL19072757 1.00 L3MBTL1 (0.43) L3MBTL1KCNH2OPRM1OPRD1MRGPRX2
SCHEMBL12099374 1.00 L3MBTL1 (0.43) L3MBTL1KCNH2OPRM1OPRD1MRGPRX2
SCHEMBL12099371 1.00 L3MBTL1 (0.43) L3MBTL1KCNH2OPRM1OPRD1MRGPRX2
SCHEMBL2009362 0.76 L3MBTL1 (0.50) L3MBTL1TP53CYP3A4CYP2C19CYP2C9
SCHEMBL16751400 0.73 KCNH2 (0.45) KCNH2OPRM1OPRD1MRGPRX2CHRM3
SCHEMBL2009360 0.70 SLC22A1 (0.56) L3MBTL1OPRM1TP53CYP3A4CYP2C19
SCHEMBL12163005 0.70 SLC22A1 (0.56) L3MBTL1OPRM1TP53CYP3A4CYP2C19
SCHEMBL2551526 0.70 OPRM1 (0.46) KCNH2OPRM1OPRD1MRGPRX2CHRM3
SCHEMBL755809 0.70 KCNH2 (0.46) KCNH2OPRM1OPRD1MRGPRX2CHRM3
SCHEMBL14516176 0.70 KCNH2 (0.46) KCNH2OPRM1OPRD1MRGPRX2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507203-B1 NEW PROCESS FOR THE PREPARATION OF TAPENTADOL AND INTERMEDIATES THEREOF EUTICALS SPA (IT) 2017-07-05 EP disclosed
US-8729308-B2 Process for the preparation of tapentadol and intermediates thereof EUTICALS S.P.A. (IT) 2014-05-20 US disclosed
US-20120232306-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL AND INTERMEDIATES THEREOF EUTICALS S.P.A. (IT) 2012-09-13 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-20120232306-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL AND INTERMEDIATES THEREOF OPRK1, OPRD1, OPRL1 L3MBTL1 3801/4885KCNH2 2475/4885OPRM1 4/4885

“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.