SCHEMBL30333643

SCHEMBL30333643

CC(C)CC(=O)N1CC[C@H](F)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.51
DPP8 Q6V1X1 5/20 0.51
DPP9 Q86TI2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTPN1 P18031 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
DPP7 Q9UHL4 2/20 0.42
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL15490019 1.00 DPP4 (0.51) DPP4DPP8DPP9SMN1; SMN2POLB
SCHEMBL15490021 0.86 SMN1; SMN2 (0.52) DPP4DPP8DPP9SMN1; SMN2POLB
SCHEMBL30333932 0.84 SMN1; SMN2 (0.43) DPP4DPP8DPP9SMN1; SMN2POLB
SCHEMBL12414849 0.84 SMN1; SMN2 (0.46) DPP4DPP8DPP9SMN1; SMN2POLB
SCHEMBL5744444 0.84 SMN1; SMN2 (0.46) DPP4DPP8DPP9SMN1; SMN2POLB
SCHEMBL12414847 0.84 SMN1; SMN2 (0.46) DPP4DPP8DPP9SMN1; SMN2POLB
SCHEMBL24614018 0.82 SMN1; SMN2 (0.44) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL19431618 0.81 SMN1; SMN2 (0.52) DPP4DPP8SMN1; SMN2POLBNPSR1
SCHEMBL18731194 0.81 SMN1; SMN2 (0.52) DPP4DPP8SMN1; SMN2POLBNPSR1
SCHEMBL12304221 0.81 DPP4 (0.51) DPP4SMN1; SMN2POLBNPSR1L3MBTL1

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-11618753-B2 Aminopyrrolotriazines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-04-04 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-11618753-B2 Aminopyrrolotriazines as kinase inhibitors RIPK1, RIPK2, RIPK4 DPP4 2723/4885DPP8 2556/4885DPP9 3161/4885

“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.