SCHEMBL669770

SCHEMBL669770

CCC(OS(=O)(=O)c1ccc(C)cc1)(c1cccc(OC)c1)C(C)CN(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
POLB P06746 3/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR6 P50406 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.35
KCNH2 Q12809 2/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
MRGPRX2 Q96LB1 1/20 0.35
CHRM3 P20309 1/20 0.35
HRH2 P25021 1/20 0.35
HTR2A P28223 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRK1 P41145 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL14974352 1.00 LMNA (0.39) LMNACYP3A4CYP2D6POLBMAPT
SCHEMBL669526 1.00 LMNA (0.39) LMNACYP3A4CYP2D6POLBMAPT
SCHEMBL669655 0.85 KCNH2 (0.38) LMNACYP3A4CYP2D6ALDH1A1KCNH2
SCHEMBL14984858 0.85 KCNH2 (0.38) LMNACYP3A4CYP2D6ALDH1A1KCNH2
SCHEMBL669373 0.85 KCNH2 (0.38) LMNACYP3A4CYP2D6ALDH1A1KCNH2
SCHEMBL14974361 0.85 KCNH2 (0.38) LMNACYP3A4CYP2D6ALDH1A1KCNH2
SCHEMBL669527 0.82 HTR6 (0.38) POLBMAPTTP53ALDH1A1HTR6
SCHEMBL22454446 0.80 CYP2D6 (0.40) LMNACYP3A4CYP2D6ALDH1A1KCNH2
SCHEMBL17750791 0.80 CYP2D6 (0.40) LMNACYP3A4CYP2D6ALDH1A1KCNH2
SCHEMBL14987836 0.77 KCNH2 (0.41) LMNACYP3A4CYP2D6POLBMAPT

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
EP-2606030-B1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LTD (IN) 2016-05-18 EP claimed
US-8853456-B2 Process for the preparation of tapentadol INDOCO REMEDIES LIMITED (US) 2014-10-07 US claimed
EP-2606030-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL Indoco Remedies Limited (IN) 2013-06-26 EP claimed
US-20130137890-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LIMITED (IN) 2013-05-30 US claimed
WO-2012023147-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LIMITED (IN) 2012-02-23 WO claimed
EP-2606030-B1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LTD (IN) 2016-05-18 EP disclosed
US-8853456-B2 Process for the preparation of tapentadol INDOCO REMEDIES LIMITED (US) 2014-10-07 US disclosed
EP-2606030-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL Indoco Remedies Limited (IN) 2013-06-26 EP disclosed
US-20130137890-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LIMITED (IN) 2013-05-30 US disclosed
WO-2012023147-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LIMITED (IN) 2012-02-23 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-20130137890-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL OPRD1, OPRM1, OPRK1 LMNA 2991/4885CYP3A4 28/4885CYP2D6 8/4885

“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.