SCHEMBL30733409

SCHEMBL30733409

CC(C)C(=O)N1CC2(CCN(Cc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.59
HDAC6 Q9UBN7 4/20 0.59
HDAC8 Q9BY41 1/20 0.54
NOTUM Q6P988 3/20 0.50
FFAR1 O14842 3/20 0.48
CYP2D6 P10635 4/20 0.47
ALDH1A1 P00352 2/20 0.47
SIGMAR1 Q99720 3/20 0.47
TP53 P04637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
P2RY1 P47900 1/20 0.46
DRD2 P14416 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL23289929 0.89 HDAC1 (0.64) HDAC1HDAC6HDAC8NOTUMFFAR1
SCHEMBL1713754 0.81 HDAC1 (0.53) HDAC1HDAC6HDAC8CYP2D6ALDH1A1
SCHEMBL13309551 0.81 HDAC1 (0.56) HDAC1HDAC6HDAC8NOTUMFFAR1
SCHEMBL1713006 0.81 CYP2D6 (0.56) HDAC1HDAC6HDAC8NOTUMCYP2D6
SCHEMBL30733410 0.81 HDAC1 (0.58) HDAC1HDAC6HDAC8NOTUMFFAR1
SCHEMBL14623149 0.79 FFAR1 (0.56) HDAC1HDAC6HDAC8FFAR1CYP2D6
SCHEMBL1980590 0.79 HDAC1 (0.68) HDAC1HDAC6HDAC8FFAR1CYP2D6
SCHEMBL30733428 0.78 HDAC1 (0.55) HDAC1HDAC6HDAC8NOTUMFFAR1
SCHEMBL5578692 0.76 SIGMAR1 (0.52) HDAC1HDAC6NOTUMSIGMAR1DRD2
SCHEMBL30733424 0.76 P2RY1 (0.54) HDAC1HDAC6HDAC8FFAR1P2RY1

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.