SCHEMBL30733425

SCHEMBL30733425

O=S(=O)(c1ccc(C(F)F)cc1)N1CC2(CCN(c3ccccc3)CC2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.43
ALDH1A1 P00352 6/20 0.43
CYP1A2 P05177 6/20 0.43
CYP2C9 P11712 6/20 0.43
CYP2C19 P33261 6/20 0.43
USP2 O75604 4/20 0.43
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40
ACLY P53396 1/20 0.39
TSHR P16473 3/20 0.39
HIF1A Q16665 2/20 0.39
NPY5R Q15761 7/20 0.39
CYP2D6 P10635 3/20 0.39
HSD17B10 Q99714 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
TACR1 P25103 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
SCHEMBL30733398 0.87 ACLY (0.43) CYP3A4CYP2C9CYP2C19TP53ACLY
SCHEMBL30733427 0.86 ACLY (0.42) CYP3A4CYP2C9CYP2C19TP53ACLY
SCHEMBL26969776 0.85 ACLY (0.41) CYP3A4CYP2C9CYP2C19ACLYNPY5R
SCHEMBL25237936 0.85 ACLY (0.41) CYP3A4CYP2C9CYP2C19ACLYNPY5R
SCHEMBL25237931 0.84 ACLY (0.41) CYP3A4ALDH1A1CYP2C9CYP2C19ACLY
SCHEMBL25231978 0.83 ACLY (0.40) CYP3A4CYP2C9CYP2C19ACLYNPY5R
SCHEMBL25274911 0.83 NPY5R (0.43) ALDH1A1NPY5RTACR1
SCHEMBL26969744 0.83 HTR6 (0.40) ACLYNPY5RTACR1
SCHEMBL25274228 0.83 NPY5R (0.46) ALDH1A1SMN1; SMN2ACLYNPY5RTACR1
SCHEMBL26969733 0.82 NPY5R (0.60) ALDH1A1NPY5RTACR1

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 CYP3A4 2481/4885ALDH1A1 3737/4885CYP1A2 4108/4885

“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.