SCHEMBL26328526

SCHEMBL26328526

C[C@@H](NC(C)(C)C)c1ccc(CC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
HRH1 P35367 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CACNA1F O60840 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2B P18089 1/20 0.38
CHRM3 P20309 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
CACNA1D Q01668 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
SLC6A4 P31645 3/20 0.34
ALOX5 P09917 1/20 0.33
HTT P42858 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
SCHEMBL26328527 1.00 ESR1 (0.45) ESR1HRH1SLC6A3CACNA1FCHRM2
SCHEMBL26748602 0.82 ALDH1A1 (0.44) HRH1SLC6A3CACNA1FCHRM2CHRM1
SCHEMBL26748605 0.82 ALDH1A1 (0.44) HRH1SLC6A3CACNA1FCHRM2CHRM1
SCHEMBL22845470 0.81 OPRK1 (0.47) HRH1SLC6A3CACNA1FCHRM2CHRM1
SCHEMBL25490409 0.77 ESR1 (0.54) ESR1HRH1SLC6A3KCNH2THRA
SCHEMBL8254526 0.75 SMN1; SMN2 (0.39) HRH1SLC6A3CACNA1FCHRM2CHRM1
SCHEMBL10315775 0.75 SMN1; SMN2 (0.39) HRH1SLC6A3CACNA1FCHRM2CHRM1
SCHEMBL8259486 0.75 SMN1; SMN2 (0.39) HRH1SLC6A3CACNA1FCHRM2CHRM1
SCHEMBL10058171 0.74 AKT1 (0.50) HRH1SLC6A3CACNA1FCHRM2CHRM1
SCHEMBL17788654 0.74 HTT (0.43) HRH1SLC6A3CACNA1FCHRM2CHRM1

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-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2023-11-09 US disclosed
US-20230279023-A1 N/O-Linked Degrons and Degronimers for Protein Degradation C4 THERAPEUTICS, INC. (US) 2023-09-07 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-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION STUB1, MDM2, USP30 ESR1 1132/4885HRH1 3281/4885SLC6A3 4505/4885
US-20230279023-A1 N/O-Linked Degrons and Degronimers for Protein Degradation CRBN, CBL, STUB1 ESR1 1237/4885HRH1 4421/4885SLC6A3 4131/4885

“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.