SCHEMBL15026266

SCHEMBL15026266

C=CC(c1cccc(OCCCC)c1)[C@@H](C)CN(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CACNA1B Q00975 1/20 0.43
▸ TSHR P16473 3/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ PTGES O14684 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ CYSLTR2 Q9NS75 3/20 0.38
▸ CYSLTR1 Q9Y271 3/20 0.38
▸ TLR4 O00206 1/20 0.38
▸ TLR2 O60603 1/20 0.38
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ OPRM1 P35372 1/20 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
SCHEMBL16871076 0.83 AOC3 (0.48) HIF1ACYP2D6SLC22A1OPRM1
SCHEMBL16871039 0.83 AOC3 (0.48) HIF1ACYP2D6SLC22A1OPRM1
SCHEMBL16871041 0.83 AOC3 (0.48) HIF1ACYP2D6SLC22A1OPRM1
SCHEMBL15026291 0.83 AOC3 (0.48) HIF1ACYP2D6SLC22A1OPRM1
SCHEMBL15008984 0.82 ALOX5 (0.47) SMN1; SMN2PTGESALOX5
SCHEMBL15024186 0.82 ALOX5 (0.47) SMN1; SMN2PTGESALOX5
SCHEMBL16871387 0.82 ALOX5 (0.47) SMN1; SMN2PTGESALOX5
SCHEMBL15026292 0.81 CACNA1B (0.46) KDM4EALDH1A1LMNASMN1; SMN2CACNA1B
SCHEMBL15474067 0.81 SLC22A1 (0.59) KDM4EALDH1A1LMNASMN1; SMN2CACNA1B
Hydrochloric Acid SCHEMBL15008699 0.81 ALOX5 (0.46) SMN1; SMN2HIF1APTGESALOX5

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
WO-2013090161-A1 STEREOSELECTIVE SYNTHESIS OF TAPENTADOL AND ITS SALTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 — — WO disclosed
US-20130150622-A1 STEREOSELECTIVE SYNTHESIS OF TAPENTADOL AND ITS SALTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 — — 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-20130150622-A1 STEREOSELECTIVE SYNTHESIS OF TAPENTADOL AND ITS SALTS SLC6A2, SLC6A4, SLC6A6 KDM4E 1955/4885ALDH1A1 891/4885LMNA 4683/4885

“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.

Send feedback