SCHEMBL26969744

SCHEMBL26969744

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.40
ACLY P53396 1/20 0.37
NPY5R Q15761 8/20 0.37
GNRHR P30968 1/20 0.36
TACR1 P25103 3/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
P2RY1 P47900 1/20 0.35
P2RX1 P51575 1/20 0.35
SLC18A3 Q16572 2/20 0.34
SIGMAR1 Q99720 2/20 0.34

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
SCHEMBL25281945 0.95 HTR6 (0.38) HTR6ACLYNPY5RGNRHRTACR1
SCHEMBL26969777 0.85 HTR6 (0.40) HTR6ACLYNPY5RGNRHRTACR1
SCHEMBL30733398 0.84 ACLY (0.43) ACLYNPY5RGNRHR
SCHEMBL26969749 0.83 NPY5R (0.38) ACLYNPY5RSIGMAR1
SCHEMBL30733425 0.83 CYP3A4 (0.43) ACLYNPY5RTACR1
SCHEMBL26969732 0.83 NPY5R (0.47) NPY5RGNRHRTACR1
SCHEMBL30733427 0.82 ACLY (0.42) ACLYNPY5RGNRHR
SCHEMBL26969774 0.82 CYP3A4 (0.48) ACLYNPY5RTACR1
SCHEMBL26969706 0.82 SIGMAR1 (0.47) NPY5ROPRM1OPRD1OPRK1SIGMAR1
SCHEMBL25237936 0.82 ACLY (0.41) ACLYNPY5RGNRHRTACR1

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 HTR6 189/4885ACLY 3265/4885NPY5R 681/4885

“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.