SCHEMBL13003157

SCHEMBL13003157

CC(C)(C)OC(=O)N1CCc2c1cc(S(=O)(=O)O)c1[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)OCCc5ccc([N+](=O)[O-])cc5)cc43)cc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
DHODH Q02127 1/20 0.31
KCNJ1 P48048 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
STING1 Q86WV6 1/20 0.30
ABCB1 P08183 1/20 0.30
BAZ2B Q9UIF8 1/20 0.30

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
SCHEMBL13003158 1.00 GPR119 (0.33) GPR119CHRM5CHRM1DHODHKCNJ1
SCHEMBL13060247 0.93 GPR119 (0.30) GPR119CHRM5CHRM1
SCHEMBL532246 0.92 CHRM5 (0.37) GPR119CHRM5CHRM1DHODHKCNJ1
SCHEMBL532381 0.89 CHRM5 (0.39) GPR119CHRM5CHRM1DHODHKCNJ1
SCHEMBL13710044 0.86 GPR119 (0.33) GPR119CHRM5CHRM1DHODH
SCHEMBL13003093 0.82 CHRM5 (0.35) CHRM5CHRM1KCNJ1KCNH2LMNA
SCHEMBL13003113 0.82 ABCG2 (0.35) CHRM5CHRM1ABCB1
SCHEMBL13497405 0.81 CHRM5 (0.34) GPR119CHRM5CHRM1KCNJ1KCNH2
SCHEMBL532241 0.79 MAPT (0.38) CHRM5CHRM1KCNJ1KCNH2LMNA
Trifluoroacetic Acid SCHEMBL3421525 0.76 CHRM5 (0.35) CHRM5CHRM1KCNJ1KCNH2LMNA

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
US-7851606-B2 Negatively charged minor groove binders ELITECH HOLDING B.V. (NL) 2010-12-14 US disclosed
US-7851606-B2 Negatively charged minor groove binders ELITECH HOLDING B.V. (NL) 2010-12-14 US disclosed
US-20100137614-A1 NEGATIVELY CHARGED MINOR GROOVE BINDERS EPOCH BIOSCIENCES, INC. (US) 2010-06-03 US disclosed
US-7582739-B2 Negatively charged minor groove binders EPOCH BIOSCIENCES, INC. (US) 2009-09-01 US disclosed
US-7582739-B2 Negatively charged minor groove binders EPOCH BIOSCIENCES, INC. (US) 2009-09-01 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-20100137614-A1 NEGATIVELY CHARGED MINOR GROOVE BINDERS PCNA, NCL, HNRNPH3 GPR119 3972/4885CHRM5 3722/4885CHRM1 4322/4885

“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.