SCHEMBL13649151

SCHEMBL13649151

OC(c1ccccc1)(c1ccccc1)[C@H](c1ccccc1)N1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.73
KCNH2 Q12809 10/20 0.72
CYP2D6 P10635 8/20 0.60
CYP3A4 P08684 7/20 0.60
CYP2C19 P33261 7/20 0.60
CYP2C9 P11712 5/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CYP1A2 P05177 5/20 0.52
KCNE1 P15382 1/20 0.50
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.42
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRM1 P35372 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
SCHEMBL5541536 0.98 KCNA5 (0.73) KCNA5KCNH2CYP2D6CYP3A4CYP2C19
SCHEMBL480997 0.98 KCNA5 (0.73) KCNA5KCNH2CYP2D6CYP3A4CYP2C19
SCHEMBL480998 0.98 KCNA5 (0.73) KCNA5KCNH2CYP2D6CYP3A4CYP2C19
SCHEMBL12587918 0.98 KCNA5 (0.73) KCNA5KCNH2CYP2D6CYP3A4CYP2C19
SCHEMBL1243557 0.85 KCNA5 (0.64) KCNA5KCNH2CYP2D6CYP3A4CYP2C19
SCHEMBL1242084 0.85 KCNA5 (1.00) KCNA5KCNH2CYP2D6CYP3A4CYP2C19
SCHEMBL12587929 0.84 KCNA5 (1.00) KCNA5KCNH2CYP2D6CYP3A4CYP2C19
SCHEMBL12587920 0.84 KCNA5 (1.00) KCNA5KCNH2CYP2D6CYP3A4CYP2C19
SCHEMBL12588145 0.84 KCNA5 (0.67) KCNA5KCNH2CYP2D6CYP3A4CYP2C19
SCHEMBL10461663 0.83 KCNA5 (0.60) KCNA5KCNH2CYP2D6CYP3A4CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247771-A1 PROCESS FOR OBTAINING ENANTIOMERS OF DULOXETINE PRECURSORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-10-01 US disclosed
US-20090247771-A1 PROCESS FOR OBTAINING ENANTIOMERS OF DULOXETINE PRECURSORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-10-01 US disclosed
WO-2007098923-A1 PROCESS FOR OBTAINING ENANTIOMERS OF DULOXETINE PRECURSORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-07 WO disclosed
EP-1826204-A1 Process for obtaining enantiomers of duloxetine precursors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-08-29 EP 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-20090247771-A1 PROCESS FOR OBTAINING ENANTIOMERS OF DULOXETINE PRECURSORS HTR4, OPRM1, SLC6A4 KCNA5 709/4885KCNH2 1382/4885CYP2D6 11/4885

“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.