SCHEMBL26969697

SCHEMBL26969697

O=S(=O)(c1ccc(C(F)F)cc1)N1CC2(CCN(Cc3cnccn3)CC2)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.36
NPY5R Q15761 10/20 0.36
EGLN1 Q9GZT9 2/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NAMPT P43490 1/20 0.33
ACLY P53396 1/20 0.33

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
SCHEMBL26969706 0.90 SIGMAR1 (0.47) SIGMAR1NPY5REGLN1PKMLMNA
SCHEMBL26969759 0.87 KDM4E (0.41) NPY5RHDAC1HDAC6NAMPT
SCHEMBL26969749 0.86 NPY5R (0.38) SIGMAR1NPY5RHDAC1HDAC6ACLY
SCHEMBL26969774 0.85 CYP3A4 (0.48) NPY5RSMN1; SMN2HDAC1HDAC6ACLY
SCHEMBL26969744 0.80 HTR6 (0.40) SIGMAR1NPY5RACLY
SCHEMBL30733398 0.78 ACLY (0.43) NPY5RHDAC1HDAC6ACLY
SCHEMBL30733425 0.77 CYP3A4 (0.43) NPY5RSMN1; SMN2ACLY
SCHEMBL25281945 0.77 HTR6 (0.38) NPY5RACLY
SCHEMBL30733427 0.77 ACLY (0.42) NPY5RHDAC1HDAC6ACLY
SCHEMBL25231615 0.76 NPY5R (0.41) NPY5RHDAC1HDAC6

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 SIGMAR1 683/4885NPY5R 681/4885EGLN1 4687/4885

“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.