SCHEMBL3493829

SCHEMBL3493829

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NC(=O)O2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.44
DDB1 Q16531 2/20 0.44
CRBN Q96SW2 2/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL371222 0.82 USP2 (0.45) GPR119DDB1CRBNUSP2SMN1; SMN2
SCHEMBL31189134 0.82 USP2 (0.47) GPR119USP2SMN1; SMN2KMT2AALOX15
SCHEMBL12184487 0.81 GPR119 (0.44) GPR119DDB1CRBNUSP2SMN1; SMN2
SCHEMBL17760306 0.79 USP2 (0.46) GPR119DDB1CRBNUSP2SMN1; SMN2
SCHEMBL769732 0.79 USP2 (0.46) GPR119DDB1CRBNUSP2SMN1; SMN2
SCHEMBL22911795 0.78 USP2 (0.44) GPR119DDB1CRBNUSP2SMN1; SMN2
SCHEMBL15166535 0.78 USP2 (0.44) GPR119USP2SMN1; SMN2KMT2AALOX15
SCHEMBL2299526 0.78 USP2 (0.41) GPR119DDB1CRBNUSP2SMN1; SMN2
SCHEMBL3494873 0.78 SMN1; SMN2 (0.41) GPR119DDB1CRBNUSP2SMN1; SMN2
SCHEMBL8152684 0.77 USP2 (0.40) GPR119DDB1CRBNUSP2SMN1; SMN2

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-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
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
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 GPR119 25/4885DDB1 3296/4885CRBN 3767/4885

“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.