SCHEMBL26969702

SCHEMBL26969702

O=C(OCc1ccccc1)N1CCC2(CC1)CN(S(=O)(=O)c1ccc(C(F)F)cc1)c1ccc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.47
RORC P51449 6/20 0.46
TACR1 P25103 5/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
TGM2 P21980 3/20 0.41
F13A1 P00488 2/20 0.41
TGM1 P22735 2/20 0.41
NPC1L1 Q9UHC9 1/20 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

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
SCHEMBL26969710 0.93 RORC (0.46) GNRHRRORCTACR1HDAC1HDAC8
SCHEMBL25236263 0.91 HDAC1 (0.53) TACR1HDAC1HDAC8HDAC6NPC1L1
SCHEMBL25281390 0.86 TACR1 (0.48) RORCTACR1HDAC1HDAC8HDAC6
SCHEMBL25240831 0.86 GNRHR (0.48) GNRHRRORCTACR1PRSS1PRSS2
SCHEMBL25275694 0.85 RORC (0.44) RORCTACR1HDAC1HDAC8HDAC6
SCHEMBL29661957 0.85 RORC (0.46) RORCTACR1HDAC1HDAC8HDAC6
SCHEMBL30412880 0.85 HDAC1 (0.45) RORCTACR1HDAC1HDAC8HDAC6
SCHEMBL25229091 0.85 HDAC1 (0.45) RORCTACR1HDAC1HDAC8HDAC6
SCHEMBL8067334 0.84 TACR1 (0.57) TACR1
SCHEMBL29661999 0.84 TACR1 (0.57) TACR1

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 GNRHR 1711/4885RORC 2737/4885TACR1 398/4885

“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.