SCHEMBL3494769

SCHEMBL3494769

CC(C)(C)OC(=O)N1CCC2(C=C(O[Si](C)(C)C(C)(C)C)c3cc(C(=N)NO)ccc3O2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
GPR119 Q8TDV5 6/20 0.36
LMNA P02545 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
IDO1 P14902 1/20 0.34
NAMPT P43490 1/20 0.34
ADAM17 P78536 3/20 0.33
MMP2 P08253 2/20 0.33
MMP13 P45452 2/20 0.33
MMP14 P50281 1/20 0.33

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
SCHEMBL3494766 1.00 PKM (0.37) PKMGPR119LMNAHDAC1HDAC8
SCHEMBL13339756 0.85 GPR119 (0.36) PKMGPR119NAMPT
SCHEMBL3494637 0.82 PKM (0.39) PKMGPR119LMNAHDAC1HDAC8
SCHEMBL3494641 0.82 PKM (0.39) PKMGPR119LMNAHDAC1HDAC8
SCHEMBL3491570 0.82 GPR119 (0.40) GPR119
SCHEMBL3491568 0.82 GPR119 (0.40) GPR119
SCHEMBL10257640 0.78 GPR119 (0.41) GPR119
SCHEMBL3491107 0.77 SCD5 (0.37) PKMGPR119HDAC1
SCHEMBL3491104 0.77 SCD5 (0.37) PKMGPR119HDAC1
SCHEMBL16315280 0.76 HRH3 (0.39) GPR119IDO1

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 25/4885LMNA 1642/4885

“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.