SCHEMBL2009360

SCHEMBL2009360

CC[C@H](c1cccc(NC(=O)C(F)(F)F)c1)[C@@H](C)CN(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.56
OPRM1 P35372 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL12162985 1.00 SLC22A1 (0.56) SLC22A1OPRM1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL12163005 1.00 SLC22A1 (0.56) SLC22A1OPRM1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL19072752 0.93 SLC22A1 (0.48) SLC22A1OPRM1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2009363 0.80 L3MBTL1 (0.49) L3MBTL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12015811 0.77 L3MBTL1 (0.64) L3MBTL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6411376 0.74 SLC22A1 (0.70) SLC22A1OPRM1CYP3A4
Tapentadol SCHEMBL415565 0.73 SLC22A1 (0.82) SLC22A1OPRM1MEN1KMT2ARAB9A
Tapentadol SCHEMBL17104708 0.73 OPRM1 (0.94) SLC22A1OPRM1ALDH1A1CYP1A2CYP2C9
Tapentadol SCHEMBL147058 0.73 OPRM1 (1.00) SLC22A1OPRM1ALDH1A1CYP1A2CYP2C9
Tapentadol SCHEMBL16267909 0.73 OPRM1 (1.00) SLC22A1OPRM1ALDH1A1CYP1A2CYP2C9

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 5 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
EP-2507203-A1 NEW PROCESS FOR THE PREPARATION OF TAPENTADOL AND INTERMEDIATES THEREOF Euticals S.P.A. (IT) 2012-10-10 EP disclosed
US-20120232306-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL AND INTERMEDIATES THEREOF EUTICALS S.P.A. (IT) 2012-09-13 US disclosed
WO-2011067714-A1 NEW PROCESS FOR THE PREPARATION OF TAPENTADOL AND INTERMEDIATES THEREOF ARCHIMICA SRL (IT) 2011-06-09 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-20120232306-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL AND INTERMEDIATES THEREOF OPRK1, OPRD1, OPRL1 SLC22A1 3207/4885OPRM1 4/4885L3MBTL1 3801/4885

“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.