SCHEMBL26969737

SCHEMBL26969737

O=C(O)NC1CCC2(CC1)CN(S(=O)(=O)c1ccc(C(F)F)cc1)c1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 15/20 0.42
ACLY P53396 1/20 0.39
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GNRHR P30968 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
SCHEMBL26969781 0.88 EPHX1 (0.44) NPY5RMEN1KMT2AGNRHR
SCHEMBL25274228 0.87 NPY5R (0.46) NPY5RACLYALDH1A1GNRHR
SCHEMBL25239332 0.87 NPY5R (0.47) NPY5R
SCHEMBL26969752 0.86 ALDH1A1 (0.47) NPY5RACLYALDH1A1POLBMEN1
SCHEMBL30733398 0.83 ACLY (0.43) NPY5RACLYMEN1KMT2AGNRHR
SCHEMBL30733427 0.82 ACLY (0.42) NPY5RACLYMEN1KMT2AGNRHR
SCHEMBL25281100 0.81 NPY5R (0.47) NPY5RALDH1A1MEN1KMT2A
SCHEMBL26969704 0.81 NPY5R (0.43) NPY5RGNRHR
SCHEMBL25237936 0.81 ACLY (0.41) NPY5RACLYMEN1KMT2AGNRHR
SCHEMBL26969776 0.81 ACLY (0.41) NPY5RACLYMEN1KMT2AGNRHR

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 681/4885ACLY 3265/4885ALDH1A1 3737/4885

“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.