SCHEMBL617046

SCHEMBL617046

COc1ccc(C)cc1C(CCOS(C)(=O)=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
CHRM2 P08172 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
HRH1 P35367 2/20 0.41
ESR1 P03372 1/20 0.41
CHRM4 P08173 1/20 0.41
KCNE1 P15382 1/20 0.41
PTGS1 P23219 1/20 0.41
HRH2 P25021 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
KCNQ1 P51787 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 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
SCHEMBL4001032 0.87 ALDH1A1 (0.41) MAPTLMNACHRM2CHRM5CHRM1
SCHEMBL14197884 0.86 LMNA (0.43) MAPTLMNACHRM2CHRM5CHRM1
SCHEMBL19212478 0.85 CHRM2 (0.37) MAPTLMNACHRM2CHRM5CHRM1
SCHEMBL16036389 0.80 ACHE (0.37) MAPTLMNAGAAKMT2AMEN1
SCHEMBL4885736 0.79 MAPT (0.40) MAPTLMNACHRM2CHRM5CHRM1
SCHEMBL616184 0.79 MAPT (0.43) MAPTLMNACHRM2CHRM5CHRM1
SCHEMBL615095 0.79 MAPT (0.46) MAPTLMNACHRM2CHRM5CHRM1
SCHEMBL4881596 0.78 MAPT (0.42) MAPTLMNACHRM2CHRM5CHRM1
SCHEMBL580390 0.78 CHRM2 (0.40) MAPTLMNACHRM2CHRM1GAA
SCHEMBL580013 0.78 CHRM2 (0.40) MAPTLMNACHRM2CHRM1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041235-A1 PROCESS FOR THE PREPARATION OF (R)-2-(3-DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4METHYLPHENOL AND SALTS THEREOF PHARMATHEN S.A. (GR) 2012-02-16 US disclosed
US-20120041235-A1 PROCESS FOR THE PREPARATION OF (R)-2-(3-DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4METHYLPHENOL AND SALTS THEREOF PHARMATHEN S.A. (GR) 2012-02-16 US disclosed
US-20120041235-A1 PROCESS FOR THE PREPARATION OF (R)-2-(3-DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4METHYLPHENOL AND SALTS THEREOF PHARMATHEN S.A. (GR) 2012-02-16 US disclosed
EP-2398765-A1 IMPROVED PROCESS FOR THE PREPARATION OF (R)-2-(3-DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4METHYLPHENOL AND SALTS THEREOF Pharmathen S.A. (GR) 2011-12-28 EP disclosed
EP-2398765-A1 IMPROVED PROCESS FOR THE PREPARATION OF (R)-2-(3-DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4METHYLPHENOL AND SALTS THEREOF Pharmathen S.A. (GR) 2011-12-28 EP disclosed
WO-2010094292-A1 IMPROVED PROCESS FOR THE PREPARATION OF (R)-2-(3-DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4METHYLPHENOL AND SALTS THEREOF PHARMATHEN S.A. (GR) 2010-08-26 WO disclosed
WO-2010094292-A1 IMPROVED PROCESS FOR THE PREPARATION OF (R)-2-(3-DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4METHYLPHENOL AND SALTS THEREOF PHARMATHEN S.A. (GR) 2010-08-26 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-20120041235-A1 PROCESS FOR THE PREPARATION OF (R)-2-(3-DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4METHYLPHENOL AND SALTS THEREOF PAH, UGT1A7, MLN MAPT 925/4885LMNA 4220/4885CHRM2 617/4885

“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.