SCHEMBL25738115

SCHEMBL25738115

CNC(=O)c1ccc(N2CC3CCC(C2)N3C(=O)OC(C)(C)C)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.48
▸ GPR119 Q8TDV5 4/20 0.46
▸ HSD11B1 P28845 1/20 0.45
▸ JAK1 P23458 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ USP30 Q70CQ3 2/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ PARP1 P09874 3/20 0.40
▸ PARP2 Q9UGN5 1/20 0.40
▸ RET P07949 1/20 0.38
▸ KCNK3 O14649 2/20 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
SCHEMBL27203521 0.94 MEN1 (0.43) HDAC1GPR119HSD11B1JAK1MEN1
SCHEMBL30011368 0.89 MEN1 (0.44) HDAC1GPR119HSD11B1MEN1MAPT
SCHEMBL30010401 0.89 MEN1 (0.44) HDAC1GPR119HSD11B1MEN1MAPT
SCHEMBL28869874 0.89 MEN1 (0.44) HDAC1GPR119HSD11B1MEN1MAPT
SCHEMBL28869871 0.89 MEN1 (0.44) HDAC1GPR119HSD11B1MEN1MAPT
SCHEMBL25738114 0.88 GPR119 (0.48) HDAC1GPR119HSD11B1JAK1MEN1
SCHEMBL27203569 0.83 MEN1 (0.48) GPR119JAK1MEN1MAPTTSHR
SCHEMBL15034390 0.83 GPR119 (0.49) HDAC1GPR119HSD11B1JAK1MEN1
SCHEMBL25738320 0.83 PARP1 (0.47) GPR119MEN1MAPTTSHRKMT2A
SCHEMBL2305956 0.82 HDAC1 (0.52) HDAC1GPR119HSD11B1JAK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132522-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. 2024-04-25 — — US disclosed
WO-2023109521-A1 PARP INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 凯复(苏州)生物医药有限公司 2023-06-22 — — WO 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-20240132522-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PARP1, PARP11, PARP12 HDAC1 29/4885GPR119 2236/4885HSD11B1 1448/4885

“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.

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