SCHEMBL25819450

SCHEMBL25819450

CC1(CN2CCC3(CC2)CC(NC(=O)OCc2ccccc2)C3)CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.47
ATXN2 Q99700 2/20 0.47
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
ROCK2 O75116 1/20 0.43
DPP4 P27487 7/20 0.43
DPP7 Q9UHL4 7/20 0.43
KCNH2 Q12809 4/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
EPHX1 P07099 1/20 0.40
HSD11B1 P28845 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
SCHEMBL25935334 0.89 ENPP2 (0.47) ENPP2ATXN2ALDH1A1GAACTSL
SCHEMBL25819454 0.85 ALDH1A1 (0.55) ENPP2ATXN2ALDH1A1GAACTSL
SCHEMBL25819451 0.83 ENPP2 (0.43) ENPP2ATXN2ALDH1A1GAACTSL
SCHEMBL25819515 0.83 ALDH1A1 (0.47) ENPP2ATXN2ALDH1A1GAACTSL
SCHEMBL30135999 0.82 ENPP2 (0.44) ENPP2ATXN2ALDH1A1GAACTSL
SCHEMBL30965724 0.82 DRD2 (0.51) ENPP2ATXN2ALDH1A1GAACTSL
SCHEMBL25335140 0.79 ENPP2 (0.47) ENPP2ATXN2ALDH1A1GAACTSL
SCHEMBL13473856 0.78 ALDH1A1 (0.55) ENPP2ATXN2ALDH1A1GAACTSL
SCHEMBL34461265 0.77 MEN1 (0.50) ENPP2ATXN2ALDH1A1MEN1CYP2C19
SCHEMBL25935384 0.77 ALDH1A1 (0.52) ENPP2ATXN2ALDH1A1GAACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 US disclosed
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 US disclosed
US-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-07-13 US disclosed
US-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-07-13 US disclosed
EP-4157849-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2023-04-05 EP disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023018238-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 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 (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-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 ENPP2 1565/4885ATXN2 2262/4885ALDH1A1 4008/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 ENPP2 2034/4885ATXN2 1927/4885ALDH1A1 2752/4885

“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.