SCHEMBL26969710

SCHEMBL26969710

O=C(OCc1ccccc1)N1CCC2(CC1)CN(S(=O)(=O)c1ccc(C(F)F)cc1)c1cc(F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TACR1 P25103 6/20 0.44
XIAP P98170 1/20 0.42
BIRC2 Q13490 1/20 0.42
GNRHR P30968 1/20 0.42
P2RY1 P47900 1/20 0.41
NPC1L1 Q9UHC9 1/20 0.40
TGM2 P21980 3/20 0.40
F13A1 P00488 2/20 0.40
TGM1 P22735 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL26969702 0.93 GNRHR (0.47) RORCHDAC1HDAC8HDAC6TACR1
SCHEMBL25236263 0.91 HDAC1 (0.53) HDAC1HDAC8HDAC6TACR1P2RY1
SCHEMBL25281390 0.86 TACR1 (0.48) RORCHDAC1HDAC8HDAC6TACR1
SCHEMBL30412880 0.86 HDAC1 (0.45) RORCHDAC1HDAC8HDAC6TACR1
SCHEMBL25229091 0.86 HDAC1 (0.45) RORCHDAC1HDAC8HDAC6TACR1
SCHEMBL25275694 0.85 RORC (0.44) RORCHDAC1HDAC8HDAC6TACR1
SCHEMBL26969769 0.84 HDAC1 (0.44) RORCHDAC1HDAC8HDAC6TACR1
SCHEMBL26969700 0.84 HDAC1 (0.46) HDAC1HDAC8HDAC6TACR1P2RY1
SCHEMBL30413532 0.83 HDAC1 (0.42) RORCHDAC1HDAC8HDAC6TACR1
SCHEMBL25228295 0.83 HDAC1 (0.42) RORCHDAC1HDAC8HDAC6TACR1

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 RORC 2737/4885HDAC1 2067/4885HDAC8 1532/4885

“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.