SCHEMBL30733402

SCHEMBL30733402

O=S(=O)(c1ccc(C2CC2)cc1)N1CC2(CCN(Cc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
TACR1 P25103 2/20 0.43
TACR2 P21452 1/20 0.43
TACR3 P29371 1/20 0.43
CYP2D6 P10635 4/20 0.42
USP2 O75604 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
SIGMAR1 Q99720 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
TSHR P16473 3/20 0.42
TP53 P04637 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.41
NFKB1 P19838 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL30733434 0.84 LMNA (0.41) HDAC1HDAC6CYP2D6HDAC8CYP3A4
SCHEMBL30733412 0.81 HDAC1 (0.45) HDAC1HDAC6TACR1TACR2TACR3
SCHEMBL30733404 0.79 HDAC1 (0.43) HDAC1HDAC6TACR1TACR2TACR3
SCHEMBL30733426 0.78 HDAC1 (0.52) HDAC1HDAC6TACR1TACR2TACR3
SCHEMBL26969774 0.77 CYP3A4 (0.48) HDAC1HDAC6TACR1TACR2TACR3
SCHEMBL26969759 0.74 KDM4E (0.41) HDAC1HDAC6CYP2D6USP2CYP3A4
SCHEMBL26969709 0.74 CXCR4 (0.43) CYP2D6USP2CYP3A4TSHRALDH1A1
SCHEMBL30733411 0.73 SIGMAR1 (0.46) HDAC1HDAC6TACR1TACR2TACR3
SCHEMBL30733431 0.72 KDM2B (0.43) SIGMAR1DRD2NPY5R
SCHEMBL26969749 0.71 NPY5R (0.38) HDAC1HDAC6HDAC8SIGMAR1NPY5R

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 526/4885TACR1 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.