SCHEMBL26969733

SCHEMBL26969733

O=C(Cc1ccccc1)N1CCC2(CC1)CN(S(=O)(=O)c1ccc(C(F)F)cc1)c1ccccc12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.60
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
TACR1 P25103 8/20 0.47
GAA P10253 2/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 1/20 0.42
KMT2A Q03164 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
GHSR Q92847 1/20 0.41
CRBN Q96SW2 1/20 0.41

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
SCHEMBL26969778 0.91 NPY5R (0.49) NPY5RHDAC1HDAC6TACR1ALDH1A1
SCHEMBL26969732 0.87 NPY5R (0.47) NPY5RHDAC1HDAC6TACR1PRSS1
SCHEMBL25236263 0.86 HDAC1 (0.53) NPY5RHDAC1HDAC6TACR1GHSR
SCHEMBL25274911 0.84 NPY5R (0.43) NPY5RTACR1ALDH1A1
SCHEMBL25281390 0.84 TACR1 (0.48) NPY5RHDAC1HDAC6TACR1GHSR
SCHEMBL26969704 0.83 NPY5R (0.43) NPY5RTACR1
SCHEMBL30733425 0.82 CYP3A4 (0.43) NPY5RTACR1ALDH1A1
SCHEMBL26969730 0.81 KCNH2 (0.46) NPY5RTACR1
SCHEMBL26969711 0.81 NPY5R (0.42) NPY5RTACR1PRSS1PRSS2PRSS3
SCHEMBL26969738 0.81 NPY5R (0.42) NPY5RTACR1PRSS1PRSS2PRSS3

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.