SCHEMBL15601841

SCHEMBL15601841

Cc1cnn(CC(=O)N(C)CC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPI P09923 1/20 0.46
▸ ALPG P10696 1/20 0.46
▸ PLAA Q9Y263 1/20 0.46
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ KMT2A Q03164 1/20 0.37
▸ CCNC P24863 3/20 0.37
▸ CDK8 P49336 3/20 0.37
▸ FLT3 P36888 1/20 0.35

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
SCHEMBL10044956 0.83 ALPI (0.50) ALPIALPGPLAALMNAHTT
SCHEMBL15592362 0.82 CCNC (0.36) LMNAHTTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL11983525 0.81 ALPI (0.54) ALPIALPGPLAALMNAHTT
SCHEMBL6938232 0.74 ALPI (0.54) ALPIALPGPLAALMNAHTT
SCHEMBL13102449 0.73 ALPI (0.53) ALPIALPGPLAALMNAHTT
SCHEMBL15601844 0.73 POLB (0.52) LMNAHTTALDH1A1L3MBTL1POLB
SCHEMBL12124191 0.72 ALPI (0.49) ALPIALPGPLAALMNAHTT
SCHEMBL10175541 0.71 LMNA (0.54) ALPIALPGPLAALMNAHTT
SCHEMBL10084730 0.71 ALPI (0.51) ALPIALPGPLAALMNAHTT
SCHEMBL18712865 0.71 LMNA (0.50) ALPIALPGPLAALMNAHTT

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-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 — — US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 — — 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-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 ALPI 4727/4885ALPG 4834/4885PLAA 2177/4885

“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.

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