SCHEMBL22940345

SCHEMBL22940345

IN1CCC(CN2CCN(I)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.46
ADRA2C P18825 1/20 0.46
ACHE P22303 1/20 0.40
SIGMAR1 Q99720 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CASP1 P29466 1/20 0.32
CASP4 P49662 1/20 0.32
CASP5 P51878 1/20 0.32

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
SCHEMBL18976953 0.92 CHRM5 (0.48) CHRM5ADRA2CACHESIGMAR1SMN1; SMN2
SCHEMBL24803106 0.87 CHRM5 (0.40) CHRM5ADRA2CACHESIGMAR1DRD2
SCHEMBL22940513 0.87 NCF1 (0.45) CHRM5ADRA2CACHESIGMAR1
SCHEMBL23816122 0.87 CHRM5 (0.40) CHRM5ADRA2CACHESIGMAR1SMN1; SMN2
SCHEMBL23173639 0.87 NCF1 (0.40) CHRM5ADRA2CACHESIGMAR1
SCHEMBL25803004 0.86 CHRM5 (0.67) CHRM5ADRA2CACHESIGMAR1SMN1; SMN2
SCHEMBL25700672 0.86 CHRM5 (0.67) CHRM5ADRA2CACHESMN1; SMN2CASP1
SCHEMBL23816614 0.85 CHRM5 (0.39) CHRM5ADRA2CACHESIGMAR1SMN1; SMN2
SCHEMBL23173752 0.85 ACHE (0.42) CHRM5ADRA2CACHESIGMAR1SMN1; SMN2
SCHEMBL27269612 0.85 ACHE (0.42) CHRM5ADRA2CACHESIGMAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use BEIGENE SWITZERLAND GMBH (CH) 2024-06-27 US disclosed
US-20230248834-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-10 US disclosed
WO-2022255888-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2022-12-08 WO disclosed
WO-2021058017-A1 DEGRADATION OF ANDROGEN RECEPTOR (AR) BY CONJUGATION OF AR ANTAGONISTS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2021-04-01 WO disclosed
WO-2021018018-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INIDBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2021-02-04 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-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use CRBN, CDR2, CRKL CHRM5 3928/4885ADRA2C 4565/4885ACHE 3577/4885
US-20230248834-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE EGFR, CBL, ERBB2 CHRM5 4781/4885ADRA2C 4521/4885ACHE 4653/4885

“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.