SCHEMBL26969769

SCHEMBL26969769

O=C(OCc1ccccc1)N1CCC2(CC1)CN(S(=O)(=O)c1ccc(C(F)F)cc1)c1c(F)cccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RORC P51449 5/20 0.43
TACR1 P25103 5/20 0.41
TGM2 P21980 6/20 0.40
F13A1 P00488 5/20 0.40
TGM1 P22735 5/20 0.40
P2RY1 P47900 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1L1 Q9UHC9 1/20 0.39

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
SCHEMBL25236263 0.88 HDAC1 (0.53) HDAC1HDAC8HDAC6TACR1P2RY1
SCHEMBL25275694 0.87 RORC (0.44) HDAC1HDAC8HDAC6RORCTACR1
SCHEMBL26969710 0.84 RORC (0.46) HDAC1HDAC8HDAC6RORCTACR1
SCHEMBL26969702 0.84 GNRHR (0.47) HDAC1HDAC8HDAC6RORCTACR1
SCHEMBL25281390 0.84 TACR1 (0.48) HDAC1HDAC8HDAC6RORCTACR1
SCHEMBL25229091 0.82 HDAC1 (0.45) HDAC1HDAC8HDAC6RORCTACR1
SCHEMBL30412880 0.82 HDAC1 (0.45) HDAC1HDAC8HDAC6RORCTACR1
SCHEMBL26969700 0.82 HDAC1 (0.46) HDAC1HDAC8HDAC6TACR1P2RY1
SCHEMBL30413532 0.80 HDAC1 (0.42) HDAC1HDAC8HDAC6RORCTACR1
SCHEMBL25228295 0.80 HDAC1 (0.42) HDAC1HDAC8HDAC6RORCTACR1

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 HDAC1 2067/4885HDAC8 1532/4885HDAC6 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.