SCHEMBL30733424

SCHEMBL30733424

O=C(Nc1ccc(C(F)F)cc1)N1CC2(CCN(Cc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 3/20 0.54
HDAC1 Q13547 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC8 Q9BY41 1/20 0.47
FAAH O00519 2/20 0.45
FFAR1 O14842 3/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
NPY5R Q15761 5/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 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
SCHEMBL30733428 0.84 HDAC1 (0.55) P2RY1HDAC1HDAC6HDAC8FFAR1
SCHEMBL23289929 0.79 HDAC1 (0.64) P2RY1HDAC1HDAC6HDAC8FFAR1
SCHEMBL30733439 0.77 FFAR1 (0.51) P2RY1HDAC1HDAC6HDAC8FFAR1
SCHEMBL5578630 0.77 OPRM1 (0.57) P2RY1MAPTNPY5R
SCHEMBL30733409 0.76 HDAC1 (0.59) P2RY1HDAC1HDAC6HDAC8FFAR1
SCHEMBL5578971 0.76 SIGMAR1 (0.48) P2RY1HDAC1HDAC6MAPTNPY5R
SCHEMBL30733432 0.74 HDAC1 (0.47) HDAC1HDAC6HDAC8FFAR1NPY5R
SCHEMBL30733410 0.73 HDAC1 (0.58) P2RY1HDAC1HDAC6HDAC8FFAR1
SCHEMBL13309551 0.72 HDAC1 (0.56) P2RY1HDAC1HDAC6HDAC8FFAR1
SCHEMBL5578994 0.71 MAPT (0.48) P2RY1MAPTNPY5R

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 P2RY1 68/4885HDAC1 2067/4885HDAC6 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.