SCHEMBL26969784

SCHEMBL26969784

O=C(OCc1cccnc1)N1CCC2(CC1)CN(S(=O)(=O)c1ccc(C(F)F)cc1)c1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
OPRK1 P41145 1/20 0.44
NPY5R Q15761 3/20 0.43
TACR1 P25103 6/20 0.43
NPC1L1 Q9UHC9 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
P2RY1 P47900 1/20 0.40
NAMPT P43490 2/20 0.40
CHRM4 P08173 2/20 0.40
KCNH2 Q12809 2/20 0.40
CHRM1 P11229 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 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
SCHEMBL26969700 0.91 HDAC1 (0.46) HDAC1HDAC8HDAC6NPY5RTACR1
SCHEMBL25236263 0.91 HDAC1 (0.53) HDAC1HDAC8HDAC6NPY5RTACR1
SCHEMBL30412880 0.90 HDAC1 (0.45) HDAC1HDAC8HDAC6OPRK1TACR1
SCHEMBL25229091 0.90 HDAC1 (0.45) HDAC1HDAC8HDAC6OPRK1TACR1
SCHEMBL25281390 0.87 TACR1 (0.48) HDAC1HDAC8HDAC6NPY5RTACR1
SCHEMBL26969705 0.87 HDAC1 (0.42) HDAC1HDAC8HDAC6NPY5RTACR1
SCHEMBL25231615 0.85 NPY5R (0.41) HDAC1HDAC8HDAC6NPY5RTACR1
SCHEMBL30413532 0.85 HDAC1 (0.42) HDAC1HDAC8HDAC6OPRK1TACR1
SCHEMBL25228295 0.85 HDAC1 (0.42) HDAC1HDAC8HDAC6OPRK1TACR1
SCHEMBL26969759 0.84 KDM4E (0.41) HDAC1HDAC6OPRK1NPY5RMMP1

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.