SCHEMBL868434

SCHEMBL868434

CC(C)(C)OC(=O)N1CCc2c1ccc(B1OC(C)(C)C(C)(C)O1)c2Cl

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.45
NOTUM Q6P988 4/20 0.41
USP30 Q70CQ3 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
UCHL1 P09936 3/20 0.37
KDM1A O60341 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ESR2 Q92731 1/20 0.33
CHRM4 P08173 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 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
SCHEMBL30120744 1.00 GPR119 (0.45) GPR119NOTUMUSP30HDAC1HDAC6
SCHEMBL24344110 0.89 GPR119 (0.43) GPR119NOTUMUSP30HDAC1HDAC6
SCHEMBL29911627 0.88 GPR119 (0.44) GPR119NOTUMUSP30HDAC1HDAC6
SCHEMBL867519 0.88 GPR119 (0.44) GPR119NOTUMUSP30HDAC1HDAC6
SCHEMBL1284165 0.85 UCHL1 (0.44) GPR119NOTUMUSP30HDAC1HDAC6
SCHEMBL29534683 0.85 UCHL1 (0.44) GPR119NOTUMUSP30HDAC1HDAC6
SCHEMBL17498181 0.81 GPR119 (0.37) GPR119USP30HDAC1HDAC6UCHL1
SCHEMBL28812299 0.80 USP30 (0.39) GPR119USP30HDAC1HDAC6UCHL1
SCHEMBL17498053 0.80 GPR119 (0.38) GPR119USP30HDAC1HDAC6UCHL1
SCHEMBL30479632 0.79 UCHL1 (0.41) NOTUMUSP30HDAC1HDAC6UCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US disclosed
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO 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 (2 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R GPR119 260/4885NOTUM 2790/4885USP30 1907/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R GPR119 260/4885NOTUM 2790/4885USP30 1907/4885

“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.