SCHEMBL4884883

SCHEMBL4884883

Cc1ccc(OS(=O)(=O)C(F)(F)F)c(C(CCOS(=O)(=O)C(F)(F)F)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM5 P08912 2/20 0.39
CHRM3 P20309 2/20 0.39
HRH1 P35367 2/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
CHRM4 P08173 1/20 0.39
MAPT P10636 1/20 0.39
KCNE1 P15382 1/20 0.39
PTGS1 P23219 1/20 0.39
HRH2 P25021 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNQ1 P51787 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39

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
SCHEMBL4881880 0.87 CA1 (0.37) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL4877691 0.87 CHRM2 (0.39) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL4885091 0.84 CHRM3 (0.59) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL4885736 0.81 MAPT (0.40) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL4881596 0.80 MAPT (0.42) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL617046 0.77 MAPT (0.41) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL4885362 0.77 CHRM2 (0.35) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL4885365 0.77 CHRM2 (0.35) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL27031407 0.76 CA1 (0.40) CHRM1LMNAADRA1ACETPDRD2
SCHEMBL4885767 0.75 CHRM3 (0.53) CHRM2CHRM1CHRM5CHRM3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045602-A1 Process for Preparation of 3-(2-Hydroxy-5Methylphenyl)-N, N-Disopropyl-3-Phenylpropylamine LEK PHARMACEUTICALS, D.D. (SI) 2008-02-21 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-20080045602-A1 Process for Preparation of 3-(2-Hydroxy-5Methylphenyl)-N, N-Disopropyl-3-Phenylpropylamine SLC6A3, PNMT, PIR CHRM2 1306/4885CHRM1 1501/4885CHRM5 1063/4885

“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.