SCHEMBL22874404

SCHEMBL22874404

CC(C)(C)OC(=O)C1(N)CCCC(O)CCC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
MAPK1 P28482 1/20 0.31
HPGD P15428 1/20 0.30
BTK Q06187 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL21064062 0.95 CHRM2 (0.34) CHRM2CHRM1CHRM3HPGDTSHR
SCHEMBL28201308 0.89 CHRM2 (0.39) CHRM2CHRM1CHRM3MAPK1TSHR
SCHEMBL4499031 0.85 MAPK1 (0.33) MAPK1
SCHEMBL3295142 0.85 MAPK1 (0.33) MAPK1TSHR
SCHEMBL22874559 0.83 TSHR (0.35) MAPK1HPGDTSHR
SCHEMBL21064053 0.83 TSHR (0.35) MAPK1HPGDTSHR
SCHEMBL3296871 0.83 TSHR (0.35) MAPK1HPGDTSHR
SCHEMBL18361332 0.83 TSHR (0.35) MAPK1HPGDTSHR
SCHEMBL21064071 0.83 TSHR (0.35) MAPK1HPGDTSHR
SCHEMBL18361370 0.83 TSHR (0.35) MAPK1HPGDTSHR

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-20210009519-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2021-01-14 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-20210009519-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 CHRM2 4836/4885CHRM1 4856/4885CHRM3 4783/4885

“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.