SCHEMBL25935238

SCHEMBL25935238

COC(=O)[C@H]1C[C@@H]2C[C@H]1CN2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM3 P20309 1/20 0.46
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CYP1A2 P05177 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 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
SCHEMBL25938920 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL22723507 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL25031037 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL30829714 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL30977731 0.98 CHRM2 (0.45) CHRM2CHRM4CHRM3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL22723620 0.98 CHRM2 (0.45) CHRM2CHRM4CHRM3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL30977741 0.98 CHRM2 (0.45) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL31380158 0.80 NR1H2 (0.31) CHRM2CHRM3CHRNB2CHRNA4CHRNB4
SCHEMBL25855600 0.80 NR1H2 (0.31) CHRM2CHRM3CHRNB2CHRNA4CHRNB4
SCHEMBL26050485 0.79 CHRM2 (0.45) CHRM2CHRM4CHRM3CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
US-11939334-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-03-26 US disclosed
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 CN disclosed
EP-4157850-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-2023018236-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-11939334-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 CHRM2 4282/4885CHRM4 4192/4885CHRM3 4284/4885
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 CHRM2 4563/4885CHRM4 4481/4885CHRM3 4567/4885

“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.