SCHEMBL25819622

SCHEMBL25819622

O=C(NC1CC2(CCN(C[C@@H]3CCNC[C@@H]3F)CC2)C1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.43
ATXN2 Q99700 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
DPP4 P27487 6/20 0.42
DPP7 Q9UHL4 6/20 0.42
KCNH2 Q12809 4/20 0.42
TSHR P16473 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
EPHX1 P07099 1/20 0.39
ROCK2 O75116 1/20 0.38
HSD11B1 P28845 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
MEN1 O00255 1/20 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
SCHEMBL25819515 0.85 ALDH1A1 (0.47) ENPP2ATXN2ALDH1A1GAACTSL
SCHEMBL30965724 0.80 DRD2 (0.51) ENPP2ATXN2ALDH1A1GAACTSL
SCHEMBL25819623 0.79 DPP4 (0.44) ENPP2ATXN2ALDH1A1CTSLCTSB
Hydrochloric Acid SCHEMBL30121564 0.79 ALDH1A1 (0.47) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL25935334 0.78 ENPP2 (0.47) ENPP2ATXN2ALDH1A1GAACTSL
SCHEMBL25819454 0.77 ALDH1A1 (0.55) ENPP2ATXN2ALDH1A1GAACTSL
SCHEMBL25819450 0.77 ENPP2 (0.47) ENPP2ATXN2ALDH1A1GAACTSL
SCHEMBL30981171 0.75 ALDH1A1 (0.54) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL25579718 0.74 CCKBR (0.47) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL3334311 0.74 ALDH1A1 (0.51) ALDH1A1GAACTSLCTSBCTSK

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-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

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.