SCHEMBL15096064

SCHEMBL15096064

CCC[C@H](C)[C@@H](CC)c1cccc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.44
AOC3 Q16853 3/20 0.43
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
SLC22A1 O15245 1/20 0.42
OPRM1 P35372 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TAAR1 Q96RJ0 2/20 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
SCHEMBL16871396 0.89 CASR (0.48) CASRAOC3SLC22A1OPRM1L3MBTL1
SCHEMBL16871059 0.89 CASR (0.48) CASRAOC3SLC22A1OPRM1L3MBTL1
SCHEMBL11618158 0.85 AOC3 (0.49) CASRAOC3MTNR1AMTNR1BTAS1R3
SCHEMBL11618270 0.85 AOC3 (0.51) CASRAOC3MTNR1AMTNR1BL3MBTL1
SCHEMBL2359719 0.84 AOC3 (0.47) CASRAOC3MTNR1AMTNR1BSLC22A1
SCHEMBL2318103 0.84 AOC3 (0.47) CASRAOC3MTNR1AMTNR1BSLC22A1
SCHEMBL15474083 0.84 AOC3 (0.47) CASRAOC3MTNR1AMTNR1BSLC22A1
SCHEMBL16871235 0.84 AOC3 (0.47) CASRAOC3SLC22A1OPRM1L3MBTL1
SCHEMBL2176341 0.84 AOC3 (0.47) CASRAOC3SLC22A1OPRM1L3MBTL1
SCHEMBL15121380 0.84 AOC3 (0.53) CASRAOC3MTNR1AMTNR1BSLC22A1

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-8791287-B2 Process for the synthesis of tapentadol and intermediates thereof EUTICALS S.P.A. (IT) 2014-07-29 US disclosed
US-20130178644-A1 PROCESS FOR THE SYNTHESIS OF TAPENTADOL AND INTERMEDIATES THEREOF EUTICALS S.P.A. (IT) 2013-07-11 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-20130178644-A1 PROCESS FOR THE SYNTHESIS OF TAPENTADOL AND INTERMEDIATES THEREOF TKT, CYP2D6, OPRK1 CASR 4856/4885AOC3 371/4885MTNR1A 1180/4885

“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.