SCHEMBL4438409

SCHEMBL4438409

CN(Cc1ccccc1)C(CCO)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
OPRK1 P41145 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 2/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 1/20 0.41
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.37
RBP1 P09455 1/20 0.37
ADAM17 P78536 1/20 0.36
OPRM1 P35372 1/20 0.35

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
SCHEMBL4448653 1.00 LMNA (0.41) LMNAL3MBTL1OPRK1SLC6A2SLC6A4
SCHEMBL4440878 1.00 LMNA (0.41) LMNAL3MBTL1OPRK1SLC6A2SLC6A4
SCHEMBL11202255 0.88 LMNA (0.43) LMNAL3MBTL1OPRK1SLC6A2SLC6A4
SCHEMBL4436800 0.82 CHRNB2 (0.43) LMNAL3MBTL1TSHRTP53POLB
SCHEMBL2018408 0.80 OPRM1 (0.44) LMNAOPRK1SLC6A2SLC6A4SLC6A3
SCHEMBL2488429 0.80 OPRM1 (0.44) LMNAOPRK1SLC6A2SLC6A4SLC6A3
SCHEMBL4742742 0.80 OPRM1 (0.44) LMNAOPRK1SLC6A2SLC6A4SLC6A3
SCHEMBL4435156 0.79 LMNA (0.40) LMNAL3MBTL1OPRK1SLC6A2SLC6A4
SCHEMBL5164752 0.79 HTR2A (0.47) OPRK1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL13986004 0.76 LMNA (0.43) LMNAL3MBTL1OPRK1SLC6A2SLC6A4

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-2125772-A1 A PROCESS FOR THE PREPARATION OF DULOXETIN AND NEW KEY INTERMEDIATES FOR USE THEREIN Richter Gedeon NYRT (HU) 2009-12-02 EP claimed
WO-2008078124-A1 A PROCESS FOR THE PREPARATION OF DULOXETIN AND NEW KEY INTERMEDIATES FOR USE THEREIN RICHTER GEDEON NYRT. (HU) 2008-07-03 WO claimed
EP-2125772-A1 A PROCESS FOR THE PREPARATION OF DULOXETIN AND NEW KEY INTERMEDIATES FOR USE THEREIN Richter Gedeon NYRT (HU) 2009-12-02 EP disclosed
WO-2008078124-A1 A PROCESS FOR THE PREPARATION OF DULOXETIN AND NEW KEY INTERMEDIATES FOR USE THEREIN RICHTER GEDEON NYRT. (HU) 2008-07-03 WO disclosed
US-20060167278-A1 Propanolamine derivatives, process for preparation of 3-n-methylamino-1-(2-thienyl)-1-propanols and process for preparation of propanolamine derivatives MITSUBISHI RAYON CO. LTD. (JP) 2006-07-27 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-20060167278-A1 Propanolamine derivatives, process for preparation of 3-n-methylamino-1-(2-thienyl)-1-propanols and process for preparation of propanolamine derivatives ADRA1A, ADRB1, ADRA1D LMNA 3203/4885L3MBTL1 2594/4885OPRK1 15/4885

“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.