SCHEMBL26969749

SCHEMBL26969749

O=S(=O)(c1ccc(C(F)F)cc1)N1CC2(CCN(Cc3ncccn3)CC2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 16/20 0.38
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
ACLY P53396 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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 0.91 SIGMAR1 (0.47) NPY5RSIGMAR1
SCHEMBL26969774 0.88 CYP3A4 (0.48) NPY5RHDAC1HDAC6ACLYHDAC8
SCHEMBL26969697 0.86 SIGMAR1 (0.36) NPY5RHDAC1HDAC6ACLYSIGMAR1
SCHEMBL26969759 0.85 KDM4E (0.41) NPY5RHDAC1HDAC6
SCHEMBL26969744 0.83 HTR6 (0.40) NPY5RACLYSIGMAR1
SCHEMBL30733398 0.81 ACLY (0.43) NPY5RHDAC1HDAC6ACLYHDAC8
SCHEMBL30733425 0.81 CYP3A4 (0.43) NPY5RACLY
SCHEMBL25281945 0.80 HTR6 (0.38) NPY5RACLY
SCHEMBL30733427 0.80 ACLY (0.42) NPY5RHDAC1HDAC6ACLYHDAC8
SCHEMBL25237936 0.79 ACLY (0.41) NPY5RACLY

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 NPY5R 681/4885HDAC1 2067/4885HDAC6 526/4885

“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.