SCHEMBL7002612

SCHEMBL7002612

CC1CC(N(C(=O)OC(C)(C)C)C(C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL14666763 0.79 ADH1B (0.38)
SCHEMBL2491775 0.77 SLC6A2 (0.41)
SCHEMBL24439134 0.77 HSD11B1 (0.44) HSD11B1CHRM2CHRM1CHRM3
SCHEMBL22822421 0.77 HSD11B1 (0.44) HSD11B1CHRM2CHRM1CHRM3
SCHEMBL16081763 0.77 HSD11B1 (0.44) HSD11B1CHRM2CHRM1CHRM3
SCHEMBL6490410 0.75 BTK (0.35) HSD11B1
SCHEMBL31249603 0.74 SLC6A2 (0.51)
SCHEMBL25250910 0.74 SLC6A2 (0.51)
SCHEMBL25298079 0.74 SLC6A2 (0.51)
SCHEMBL28406187 0.74 USP30 (0.33)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133140-B2 Cycloalkylamne derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-15 US disclosed
US-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-22 US disclosed
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES MARUMOTO SHINJI (JP) 2012-05-17 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 (2 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-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL HSD11B1 723/4885CHRM2 315/4885CHRM1 240/4885
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL HSD11B1 723/4885CHRM2 315/4885CHRM1 240/4885

“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.