SCHEMBL21029463

SCHEMBL21029463

CC(C)(C)OC(=O)[C@@H](N)Cc1ccc(Br)cc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.43
DPP4 P27487 1/20 0.41
DGAT1 O75907 1/20 0.38
USP30 Q70CQ3 1/20 0.37
BMP1 P13497 1/20 0.36
SLC7A5 Q01650 1/20 0.36
APLNR P35414 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDPK1 O15530 1/20 0.36
FPR2 P25090 1/20 0.35

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
SCHEMBL31411237 0.86 SLC7A5 (0.38) AAK1SLC7A5MEN1KMT2A
SCHEMBL31411233 0.86 SLC7A5 (0.38) AAK1SLC7A5MEN1KMT2A
SCHEMBL25321590 0.86 DPP4 (0.43) DPP4SLC7A5
SCHEMBL23544353 0.86 SLC7A5 (0.38) AAK1SLC7A5MEN1KMT2A
SCHEMBL28761485 0.86 AAK1 (0.41) AAK1DPP4DGAT1USP30BMP1
SCHEMBL19428705 0.85 AAK1 (0.46) AAK1DPP4USP30BMP1APLNR
SCHEMBL16064075 0.85 MAPT (0.41) DPP4DGAT1BMP1MEN1KMT2A
SCHEMBL27665844 0.84 AAK1 (0.40) AAK1DPP4DGAT1USP30BMP1
SCHEMBL27147765 0.84 DGAT1 (0.40) DGAT1BMP1MEN1KMT2APDPK1
SCHEMBL21029380 0.83 KIF11 (0.42) DPP4

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-10301286-B2 Piperazine derivative ASTELLAS PHARMA INC. (JP) 2019-05-28 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-10301286-B2 Piperazine derivative GPR4, MC4R, TRPC4 AAK1 956/4885DPP4 265/4885DGAT1 3668/4885

“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.