SCHEMBL25136197

SCHEMBL25136197

CC(C)C1(c2ccc(C(F)(F)F)cc2)COC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
KDM1A O60341 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
SLC6A3 Q01959 6/20 0.37
SLC6A4 P31645 5/20 0.37
SLC6A2 P23975 2/20 0.37
DAO P14920 1/20 0.35
PDE2A O00408 2/20 0.34
ALDH1A1 P00352 1/20 0.33
HSD11B1 P28845 2/20 0.32
KIF11 P52732 1/20 0.32

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
SCHEMBL25136611 0.76 MAOA (0.44) MAOAMAOBKDM1AOPRM1OPRL1
SCHEMBL21937925 0.75 CYP2D6 (0.37) OPRM1OPRL1SLC6A3SLC6A4SLC6A2
SCHEMBL21038542 0.73 OPRM1 (0.40) MAOAMAOBKDM1AOPRM1OPRL1
SCHEMBL24393952 0.72 OPRL1 (0.44) MAOAMAOBKDM1AOPRM1OPRL1
SCHEMBL18358295 0.72 MAOA (0.48) MAOAMAOBKDM1AOPRM1OPRL1
SCHEMBL5698924 0.69 MAOA (0.46) MAOAMAOBKDM1AOPRM1OPRL1
SCHEMBL5698923 0.69 MAOA (0.46) MAOAMAOBKDM1AOPRM1OPRL1
SCHEMBL21134568 0.66 SLC6A3 (0.46) MAOAMAOBKDM1AOPRM1OPRL1
SCHEMBL9604744 0.65 SLC6A3 (0.35) OPRM1SLC6A3SLC6A4SLC6A2
SCHEMBL13838853 0.65 OPRL1 (0.52) MAOAMAOBKDM1AOPRM1OPRL1

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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT MAOA 1402/4885MAOB 1380/4885KDM1A 1511/4885

“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.