SCHEMBL670344

SCHEMBL670344

COc1cccc(C(=O)[C@@H](C)CN(C)C)c1.O=C(OC(C(=O)O)C(OC(=O)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRND Q07001 1/20 0.42
GPR139 Q6DWJ6 4/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL30515227 1.00 TP53 (0.49) TP53TSHRNPC1RAB9ASLC6A2
SCHEMBL2411119 1.00 TP53 (0.49) TP53TSHRNPC1RAB9ASLC6A2
SCHEMBL670521 0.87 CES2 (0.54) NPC1RAB9ASLC6A2SLC6A3CHRNA1
SCHEMBL30181112 0.87 CES2 (0.54) NPC1RAB9ASLC6A2SLC6A3CHRNA1
SCHEMBL16740929 0.87 CES2 (0.54) NPC1RAB9ASLC6A2SLC6A3CHRNA1
SCHEMBL12393864 0.87 CES2 (0.54) NPC1RAB9ASLC6A2SLC6A3CHRNA1
SCHEMBL670522 0.87 CES2 (0.54) NPC1RAB9ASLC6A2SLC6A3CHRNA1
Hydrochloric Acid SCHEMBL671151 0.86 CES2 (0.53) NPC1RAB9ASLC6A2SLC6A3CHRNA1
SCHEMBL670343 0.82 NPC1 (0.44) NPC1RAB9ASLC6A2SLC6A3CHRNA1
SCHEMBL6913279 0.80 TP53 (0.61) TP53TSHRNPC1RAB9ACES2

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-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
WO-2013105109-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LIMITED (IN) 2013-07-18 WO 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 TP53 4881/4885TSHR 856/4885NPC1 3943/4885

“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.