SCHEMBL26969745

SCHEMBL26969745

CN1CCC2(CC1)CN(S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
TSHR P16473 1/20 0.40
NPY5R Q15761 11/20 0.40
ACLY P53396 1/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
HTR6 P50406 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
ACHE P22303 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 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
SCHEMBL26969707 0.94 TSHR (0.38) HDAC1HDAC6TSHRNPY5RACLY
SCHEMBL25238614 0.89 NOTUM (0.42) HDAC1HDAC6NPY5RACLY
SCHEMBL26969782 0.88 NOTUM (0.41) HDAC1HDAC6NPY5RACLY
SCHEMBL17969882 0.87 HTR6 (0.46) HDAC1HDAC6TSHRNPY5RHTR6
SCHEMBL25279584 0.86 ACLY (0.53) TSHRNPY5RACLY
SCHEMBL25232157 0.85 NPY5R (0.41) NPY5RACLY
SCHEMBL26969727 0.84 NPY5R (0.42) NPY5R
SCHEMBL26969695 0.84 HDAC1 (0.48) HDAC1HDAC6NPY5R
SCHEMBL26969777 0.84 HTR6 (0.40) NPY5RACLYHTR6OPRM1OPRD1
SCHEMBL25231173 0.83 NPY5R (0.38) NPY5RACLYOPRM1OPRD1

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-20230416262-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-12-28 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-20230416262-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 HDAC1 2067/4885HDAC6 526/4885TSHR 2030/4885

“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.