SCHEMBL5098280

SCHEMBL5098280

Cc1ccc(O)c([C@H](CCNC(C(C)C)C(C)C)c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.61
MAPT P10636 4/20 0.61
CHRM2 P08172 3/20 0.61
CHRM1 P11229 3/20 0.61
HRH1 P35367 3/20 0.61
SLC6A4 P31645 3/20 0.61
ADRA1A P35348 3/20 0.61
KCNH2 Q12809 3/20 0.61
CHRM5 P08912 2/20 0.61
CHRM3 P20309 2/20 0.61
HTR2A P28223 2/20 0.61
OPRK1 P41145 2/20 0.61
CACNA1C Q13936 2/20 0.61
SCN5A Q14524 2/20 0.61
ESR1 P03372 1/20 0.61
CHRM4 P08173 1/20 0.61
KCNE1 P15382 1/20 0.61
PTGS1 P23219 1/20 0.61
HRH2 P25021 1/20 0.61
KCNQ1 P51787 1/20 0.61

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
Bromide SCHEMBL5676142 0.99 LMNA (0.60) LMNAMAPTCHRM2CHRM1HRH1
SCHEMBL579695 0.89 CHRM2 (0.64) LMNAMAPTCHRM2CHRM1HRH1
SCHEMBL579694 0.89 CHRM2 (0.64) LMNAMAPTCHRM2CHRM1HRH1
SCHEMBL560996 0.89 CHRM2 (0.64) LMNAMAPTCHRM2CHRM1HRH1
SCHEMBL13592140 0.84 LMNA (0.60) LMNAMAPTCHRM2CHRM1HRH1
SCHEMBL3105500 0.83 SLC6A4 (0.63) LMNAMAPTCHRM2CHRM1HRH1
SCHEMBL3105509 0.83 SLC6A4 (0.63) LMNAMAPTCHRM2CHRM1HRH1
SCHEMBL14117484 0.81 MAPT (0.67) LMNAMAPTCHRM2CHRM1HRH1
SCHEMBL14595089 0.79 MAPT (0.68) LMNAMAPTCHRM2CHRM1HRH1
SCHEMBL14826646 0.79 MAPT (0.68) LMNAMAPTCHRM2CHRM1HRH1

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
US-7439397-B2 reacting methyl bromide and 2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-(trifluoromethyl) phenol; formation of (3R)-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-N,N-diisopropyl-N-methyl-3-phenylpropan-1-aminium bromide; asthma, chronic obstructive pulmonary disorder, allergic and infectious rhinitis PFIZER INC (US) 2008-10-21 US disclosed
US-20050148672-A1 Quaternary ammonium compounds RICHARDS IVAN (US) 2005-07-07 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-20050148672-A1 Quaternary ammonium compounds BET1, EP300, BRD4 LMNA 2702/4885MAPT 2325/4885CHRM2 2552/4885

“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.