SCHEMBL30733439

SCHEMBL30733439

FC(F)c1ccc(N2CC3(CCN(Cc4ccccc4)CC3)c3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.51
P2RY1 P47900 1/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
SIGMAR1 Q99720 7/20 0.46
CYP3A4 P08684 3/20 0.46
TP53 P04637 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C9 P11712 1/20 0.46
DRD2 P14416 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR2B P41595 1/20 0.44
MTOR P42345 1/20 0.44

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
SCHEMBL11090588 0.88 SIGMAR1 (0.55) FFAR1P2RY1HDAC1HDAC6SIGMAR1
SCHEMBL30733428 0.79 HDAC1 (0.55) FFAR1P2RY1HDAC1HDAC6SIGMAR1
SCHEMBL30733432 0.79 HDAC1 (0.47) FFAR1HDAC1HDAC6SIGMAR1CYP3A4
SCHEMBL30733424 0.77 P2RY1 (0.54) FFAR1P2RY1HDAC1HDAC6HDAC8
SCHEMBL1980590 0.75 HDAC1 (0.68) FFAR1HDAC1HDAC6SIGMAR1CYP3A4
SCHEMBL14623149 0.73 FFAR1 (0.56) FFAR1HDAC1HDAC6SIGMAR1CYP3A4
SCHEMBL12722623 0.72 FFAR1 (0.79) FFAR1P2RY1HDAC1HDAC6TP53
SCHEMBL11090016 0.72 SIGMAR1 (0.48) FFAR1HDAC1HDAC6SIGMAR1DRD2
SCHEMBL13228108 0.72 HDAC1 (0.61) HDAC1HDAC6SIGMAR1CYP3A4TP53
SCHEMBL23289929 0.71 HDAC1 (0.64) FFAR1P2RY1HDAC1HDAC6SIGMAR1

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 FFAR1 1367/4885P2RY1 68/4885HDAC1 2067/4885

“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.