SCHEMBL3494641

SCHEMBL3494641

CC(C)(C)OC(=O)N1CCC2(C=C(O[Si](C)(C)C(C)(C)C)c3cc(C(=N)NO)ccc3S2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
GPR119 Q8TDV5 3/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC8 Q9BY41 2/20 0.35
LMNA P02545 1/20 0.35
NAMPT P43490 3/20 0.33
SCD5 Q86SK9 1/20 0.33
ADAM17 P78536 1/20 0.32
USP30 Q70CQ3 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL3494637 1.00 PKM (0.39) PKMGPR119HDAC1HDAC6HDAC8
SCHEMBL3494766 0.82 PKM (0.37) PKMGPR119HDAC1HDAC6HDAC8
SCHEMBL3494769 0.82 PKM (0.37) PKMGPR119HDAC1HDAC6HDAC8
SCHEMBL3494448 0.82 GPR119 (0.41) GPR119SCD5
SCHEMBL3494444 0.82 GPR119 (0.41) GPR119SCD5
SCHEMBL3493790 0.78 SCD5 (0.38) PKMGPR119SCD5USP30
SCHEMBL3493792 0.78 SCD5 (0.38) PKMGPR119SCD5USP30
SCHEMBL13339882 0.71 GPR119 (0.34) PKMGPR119HDAC1HDAC6HDAC8
SCHEMBL743916 0.68 IDO1 (0.44) PKMGPR119HDAC1HDAC6HDAC8
SCHEMBL13339756 0.68 GPR119 (0.36) PKMGPR119NAMPTSCD5MEN1

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-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP 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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B PKM 1044/4885GPR119 25/4885HDAC1 259/4885

“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.