SCHEMBL30733434

SCHEMBL30733434

O=S(=O)(c1ccc(C2CC2)cc1)N1CC2(CCCC2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
ACLY P53396 1/20 0.40
DRD3 P35462 6/20 0.40
HTR6 P50406 6/20 0.40
NPY5R Q15761 1/20 0.40
PKM P14618 1/20 0.39
NOTUM Q6P988 1/20 0.39
KDM2B Q8NHM5 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM1A O60341 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37

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
SCHEMBL30733431 0.87 KDM2B (0.43) ACLYDRD3HTR6NPY5RPKM
SCHEMBL26969755 0.84 ACLY (0.39) ACLYNPY5RNOTUMCYP3A4CYP2D6
SCHEMBL30412987 0.84 ACLY (0.42) LMNAHTTACLYNPY5RNOTUM
SCHEMBL30733402 0.84 HDAC1 (0.48) NPY5RCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL26969734 0.83 MMP2 (0.44) HTTACLYNPY5RPKMNOTUM
SCHEMBL30733423 0.83 KCNN4 (0.47) LMNAHTTACLYPKMNOTUM
SCHEMBL30733401 0.83 NOTUM (0.45) ACLYNPY5RNOTUMCYP3A4CYP2D6
SCHEMBL25285056 0.82 MMP2 (0.43) HTTACLYNPY5RPKMNOTUM
SCHEMBL25232708 0.82 ACLY (0.41) LMNAHTTACLYHTR6NPY5R
SCHEMBL25233835 0.81 ACLY (0.38) LMNAHTTACLYNPY5RPKM

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 LMNA 3324/4885HTT 1696/4885ACLY 3265/4885

“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.