SCHEMBL26969693

SCHEMBL26969693

O=C(OCc1ccccc1)N1CCC2(CC1)CN(C(=O)C1(c3ccccc3)CC1)c1ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC8 Q9BY41 1/20 0.56
P2RY1 P47900 1/20 0.50
XIAP P98170 1/20 0.48
BIRC2 Q13490 1/20 0.48
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
NPC1L1 Q9UHC9 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM1A O60341 1/20 0.44
TACR1 P25103 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL14530335 0.84 HDAC1 (0.59) HDAC1HDAC6HDAC8P2RY1XIAP
SCHEMBL26969728 0.84 HDAC1 (0.61) HDAC1HDAC6HDAC8P2RY1XIAP
SCHEMBL14530334 0.84 HDAC1 (0.61) HDAC1HDAC6HDAC8P2RY1XIAP
SCHEMBL8711474 0.83 HDAC1 (0.58) HDAC1HDAC6HDAC8P2RY1XIAP
SCHEMBL6395630 0.82 HDAC1 (0.57) HDAC1HDAC6HDAC8P2RY1XIAP
SCHEMBL30733410 0.82 HDAC1 (0.58) HDAC1HDAC6HDAC8P2RY1MEN1
SCHEMBL2800892 0.82 HDAC1 (0.56) HDAC1HDAC6HDAC8P2RY1XIAP
SCHEMBL14529872 0.82 HDAC1 (0.56) HDAC1HDAC6HDAC8P2RY1XIAP
SCHEMBL1195682 0.82 HDAC1 (0.63) HDAC1HDAC6HDAC8P2RY1XIAP
SCHEMBL1195680 0.82 HDAC1 (0.63) HDAC1HDAC6HDAC8P2RY1XIAP

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 2067/4885HDAC6 526/4885HDAC8 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.