SCHEMBL25835774

SCHEMBL25835774

COc1ccnc2c1CC(S(C)(=O)=O)CC2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.35
ADRA1D P25100 1/20 0.34
CHRM2 P08172 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
ACHE P22303 1/20 0.33
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP1A2 P05177 1/20 0.32
EDNRA P25101 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL26330021 0.78 ADRA1A (0.39) ADRA1AADRA1DCHRM2CHRM1CHRM3
SCHEMBL23999683 0.78 ATR (0.33)
SCHEMBL26311886 0.77 ADRA1A (0.61) ADRA1AADRA1DCHRM2CHRM1CHRM3
SCHEMBL25820215 0.76 HTR2A (0.40)
SCHEMBL26330038 0.73 ADRA1A (0.36) ADRA1AADRA1DCHRM2CHRM1CHRM3
SCHEMBL26330023 0.73 CCNT1 (0.36) ADRA1AADRA1DCHRM2CHRM1CHRM3
SCHEMBL25831559 0.73 ADRA1A (0.36) ADRA1AADRA1DCHRM2CHRM1CHRM3
SCHEMBL25831546 0.72 ADRA1A (0.35) ADRA1AADRA1DCHRM2CHRM1CHRM3
SCHEMBL26330047 0.72 ADRA1A (0.49) ADRA1AADRA1DCHRM2CHRM1CHRM3
SCHEMBL24006324 0.71 SIGMAR1 (0.41) ADRA1ACHRM2CHRM1CHRM3ADRA2A

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-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR ADRA1A 3488/4885ADRA1D 3932/4885CHRM2 4139/4885

“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.