SCHEMBL25819559

SCHEMBL25819559

O=C1CCC(c2ccc(N3CCC(CN4CCC5(CC4)CC(NC(=O)OCc4ccccc4)C5)CC3)cn2)C(=O)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.38
ATXN2 Q99700 2/20 0.38
CHRM4 P08173 2/20 0.37
SYK P43405 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
TLR4 O00206 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
CRBN Q96SW2 4/20 0.35
DDB1 Q16531 3/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GPR55 Q9Y2T6 2/20 0.35

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
SCHEMBL30135714 1.00 ENPP2 (0.38) ENPP2ATXN2CHRM4SYKHTR1A
SCHEMBL25819509 0.83 CHRM4 (0.44) ENPP2ATXN2CHRM4SYKCTSL
SCHEMBL30965622 0.82 ENPP2 (0.37) ENPP2ATXN2CHRM4CTSLCTSB
SCHEMBL30965819 0.81 SYK (0.39) CHRM4SYKHTR1ADRD2HTR2A
SCHEMBL30965621 0.81 CHRM4 (0.39) ENPP2ATXN2CHRM4CRBNDDB1
SCHEMBL25819512 0.80 CHRM4 (0.48) ENPP2ATXN2CHRM4SYKCTSL
SCHEMBL25035184 0.80 CRBN (0.39) CRBNDDB1IKZF3
SCHEMBL30135969 0.79 CHRM4 (0.42) ENPP2ATXN2CHRM4CTSLCTSB
SCHEMBL25819513 0.78 CHRM4 (0.44) CHRM4CTSLCTSBCTSKALDH1A1
SCHEMBL25819521 0.77 CHRM4 (0.45) ENPP2ATXN2CHRM4CTSLCTSB

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 2262/4885CHRM4 4481/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 ENPP2 2034/4885ATXN2 1927/4885CHRM4 4192/4885

“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.