SCHEMBL22916873

SCHEMBL22916873

CC(C)C(=O)N1CCn2cc(C(C)C)nc2C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.45
P2RX7 Q99572 6/20 0.39
HDAC6 Q9UBN7 2/20 0.37
MET P08581 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAP4K4 O95819 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL23011668 0.88 MGLL (0.42) MGLLP2RX7HDAC6
SCHEMBL16219062 0.85 P2RX7 (0.53) MGLLP2RX7HDAC6METMAPT
SCHEMBL16219065 0.78 MGLL (0.48) MGLLP2RX7HDAC6MET
SCHEMBL14925528 0.76 HRH4 (0.33)
SCHEMBL16219046 0.74 SCD (0.46) MGLLP2RX7METMAP4K4
SCHEMBL16219018 0.74 DPP4 (0.49) MGLLMET
SCHEMBL14925522 0.72 KDM4E (0.32)
SCHEMBL16219027 0.71 DPP4 (0.49) MGLLMETMAPTNPC1RAB9A
SCHEMBL22916967 0.71 COMT (0.43) MAPT
SCHEMBL22916963 0.69 PDK2 (0.39) P2RX7HDAC6MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2023-05-25 US disclosed
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2023-05-25 US disclosed
US-20210024540-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2021-01-28 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 (2 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-20210024540-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 MGLL 2407/4885P2RX7 4800/4885HDAC6 25/4885
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 MGLL 2407/4885P2RX7 4800/4885HDAC6 25/4885

“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.