SCHEMBL515281

SCHEMBL515281

CC(C)(C)OC(=O)N1CC[C@H](Cn2ccc3c(Cl)ncnc32)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.47
USP7 Q93009 4/20 0.45
PIK3CD O00329 4/20 0.43
GPR119 Q8TDV5 4/20 0.43
BCHE P06276 1/20 0.42
HTR6 P50406 1/20 0.42
SRC P12931 2/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL515778 1.00 TGFBR1 (0.47) TGFBR1USP7PIK3CDGPR119BCHE
SCHEMBL17394745 0.94 GPR119 (0.46) TGFBR1USP7GPR119
SCHEMBL514832 0.92 JAK3 (0.41) TGFBR1USP7PIK3CDGPR119BCHE
SCHEMBL23897580 0.87 PIK3CD (0.41) TGFBR1USP7PIK3CDGPR119BCHE
SCHEMBL29950127 0.87 PIK3CD (0.41) TGFBR1USP7PIK3CDGPR119BCHE
SCHEMBL14806596 0.85 FGFR1 (0.38)
SCHEMBL14806597 0.85 FGFR1 (0.38)
SCHEMBL23897651 0.83 GPR119 (0.41) PIK3CDGPR119
SCHEMBL19731380 0.82 TGFBR1 (0.45) TGFBR1PIK3CDSRCEGFR
SCHEMBL17406889 0.81 ACACB (0.43) TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028962-A1 FUSED HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 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-20120028962-A1 FUSED HETEROCYCLIC RING COMPOUND GPR119, GPR4, GPR84 TGFBR1 170/4885USP7 4174/4885PIK3CD 3826/4885

“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.