SCHEMBL532246

SCHEMBL532246

CC(C)(C)OC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)OCCc5ccc([N+](=O)[O-])cc5)cc43)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
GPR119 Q8TDV5 3/20 0.34
ABCB1 P08183 1/20 0.34
DHODH Q02127 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
FAAH O00519 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
DRD3 P35462 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL532381 0.97 CHRM5 (0.39) CHRM5CHRM1ALDH1A1LMNAMAPT
SCHEMBL13003158 0.92 GPR119 (0.33) CHRM5CHRM1ALDH1A1LMNAMAPT
SCHEMBL13003157 0.92 GPR119 (0.33) CHRM5CHRM1ALDH1A1LMNAMAPT
SCHEMBL13497405 0.88 CHRM5 (0.34) CHRM5CHRM1MAPTKCNJ1KCNH2
SCHEMBL532241 0.85 MAPT (0.38) CHRM5CHRM1LMNAMAPTKCNJ1
SCHEMBL13060247 0.85 GPR119 (0.30) CHRM5CHRM1GPR119
SCHEMBL13710044 0.84 GPR119 (0.33) CHRM5CHRM1GPR119DHODH
SCHEMBL13003093 0.83 CHRM5 (0.35) CHRM5CHRM1LMNAMAPTKCNJ1
Trifluoroacetic Acid SCHEMBL3421525 0.83 CHRM5 (0.35) CHRM5CHRM1LMNAMAPTKCNJ1
SCHEMBL13252825 0.81 CHRM5 (0.40) CHRM5CHRM1ALDH1A1KCNJ1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1430147-B1 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS EPOCH BIOSCIENCES INC (US) 2013-05-22 EP disclosed
EP-1235938-B1 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS EPOCH BIOSCIENCES INC (US) 2012-02-08 EP disclosed
US-7897736-B2 Fluorescent quenching detecting reagents and methods ELITECH HOLDING B.V. (NL) 2011-03-01 US disclosed
US-7897736-B2 Fluorescent quenching detecting reagents and methods ELITECH HOLDING B.V. (NL) 2011-03-01 US disclosed
US-7897736-B2 Fluorescent quenching detecting reagents and methods ELITECH HOLDING B.V. (NL) 2011-03-01 US disclosed
US-20100174058-A1 FLUORESCENT QUENCHING DETECTING REAGENTS AND METHODS ELITECHGROUP, INC. 2010-07-08 US disclosed
US-20100174058-A1 FLUORESCENT QUENCHING DETECTING REAGENTS AND METHODS ELITECHGROUP, INC. 2010-07-08 US disclosed
US-20100174058-A1 FLUORESCENT QUENCHING DETECTING REAGENTS AND METHODS ELITECHGROUP, INC. 2010-07-08 US disclosed
US-7662942-B2 Oligonucleotide probes containing two labels useful in hybridization assays Elitech Holdings, B.V. (NL) 2010-02-16 US disclosed
US-20060292589-A1 Oligonucleotide probes containing two labels useful in hybridization assays EPOCH BIOSCIENCES, INC. (US) 2006-12-28 US disclosed
US-20040191796-A1 Fluorescent quenching detection reagents and methods EPOCH PHARMACEUTICALS, INC. (US) 2004-09-30 US disclosed
US-20040081959-A9 Using oligonucleotide detectors; hybridization analyzing EPOCH BIOSCIENCES, INC. (US) 2004-04-29 US disclosed
US-6727356-B1 AS PROBES SUCH AS FOR FLUORESCENCE RESONANCE ENERGY TRANSFER; QUENCHER INCLUDES A 4-(PHENYLDIAZENYL)PHENYLAMINE STRUCTURE; IMPROVED SIGNAL TO NOISE RATIO AND HYBRIDIZATION EPOCH PHARMACEUTICALS, INC. 2004-04-27 US disclosed
US-6699975-B2 OLIGONUCLEOTIDE FOR USE AS TOOL IN THE DETECTION OF PREFERENTIAL COMPOUNDS IN SOLUTION EPOCH BIOSCIENCES, INC. 2004-03-02 US disclosed
US-6653473-B2 Nucleotide sequences for use as diagnostic tool in genetic analysis EPOCH BIOSCIENCES, INC. 2003-11-25 US disclosed
US-20030096254-A1 Enhancing resonance ability of oligonuclotide probes for use in hybridization assays; gene expression EPOCH BIOSCIENCES, INC. (US) 2003-05-22 US disclosed
US-20030008304-A1 Fluorescent quenching detection reagents and methods EPOCH BIOSCIENCES, INC. (US) 2003-01-09 US disclosed
US-20020155484-A1 Fluorescent quenching detection reagents and methods EPOCH PHARMACEUTICALS, INC. (US) 2002-10-24 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 (7 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-20030008304-A1 Fluorescent quenching detection reagents and methods DDX5, DDX21, DCLRE1B CHRM5 4256/4885CHRM1 4835/4885ALDH1A1 2350/4885
US-20100174058-A1 FLUORESCENT QUENCHING DETECTING REAGENTS AND METHODS DDX5, DDX21, DCLRE1B CHRM5 4248/4885CHRM1 4847/4885ALDH1A1 2211/4885
US-20040081959-A9 Using oligonucleotide detectors; hybridization analyzing DCLRE1B, DDX21, DDX41 CHRM5 4449/4885CHRM1 4834/4885ALDH1A1 3725/4885
US-20060292589-A1 Oligonucleotide probes containing two labels useful in hybridization assays DCLRE1B, DDX21, DCLRE1A CHRM5 4630/4885CHRM1 4872/4885ALDH1A1 3246/4885
US-20020155484-A1 Fluorescent quenching detection reagents and methods IPO4, PTBP3, DDX5 CHRM5 1118/4885CHRM1 2078/4885ALDH1A1 3183/4885
US-20040191796-A1 Fluorescent quenching detection reagents and methods DDX5, IPO4, DBF4 CHRM5 1172/4885CHRM1 2380/4885ALDH1A1 3333/4885
US-20030096254-A1 Enhancing resonance ability of oligonuclotide probes for use in hybridization assays; gene expression DCLRE1B, SNRPE, ZFR CHRM5 4309/4885CHRM1 4722/4885ALDH1A1 2641/4885

“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.