SCHEMBL25968650

SCHEMBL25968650

CC(c1ccccc1)C(C)(C)S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.43
SLC6A3 Q01959 3/20 0.41
SLC6A4 P31645 3/20 0.41
CACNA1F O60840 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
OPRK1 P41145 1/20 0.41
CACNA1D Q01668 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
TAAR1 Q96RJ0 3/20 0.39
SLC6A2 P23975 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 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
SCHEMBL21740964 0.81 SLC6A4 (0.42) RIPK1SLC6A3SLC6A4CACNA1FCHRM2
SCHEMBL18470550 0.79 TAAR1 (0.50) RIPK1SLC6A3SLC6A4CACNA1FCHRM2
SCHEMBL416895 0.79 TAAR1 (0.50) RIPK1SLC6A3SLC6A4CACNA1FCHRM2
SCHEMBL14431333 0.79 TAAR1 (0.50) RIPK1SLC6A3SLC6A4CACNA1FCHRM2
SCHEMBL20306752 0.77 RIPK1 (0.45) RIPK1SLC6A3SLC6A4CACNA1FCHRM2
SCHEMBL1471159 0.75 SLC6A4 (0.45) RIPK1SLC6A3SLC6A4CACNA1FCHRM2
SCHEMBL11968994 0.75 TAAR1 (0.44) RIPK1SLC6A3SLC6A4CACNA1FCHRM2
SCHEMBL6609543 0.75 RIPK1 (0.43) RIPK1SLC6A3SLC6A4CACNA1FCHRM2
SCHEMBL30923543 0.75 SLC6A4 (0.45) RIPK1SLC6A3SLC6A4CACNA1FCHRM2
SCHEMBL12574668 0.75 SLC6A4 (0.45) RIPK1SLC6A3SLC6A4CACNA1FCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 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 (1 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-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SHH, GLI1, SMO RIPK1 1473/4885SLC6A3 2687/4885SLC6A4 3643/4885

“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.