SCHEMBL2890236

SCHEMBL2890236

CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@H](C(=O)O)CC2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
CHRM3 P20309 1/20 0.57
PREP P48147 4/20 0.47
HSD11B1 P28845 1/20 0.39
BTK Q06187 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
HSD17B10 Q99714 1/20 0.36
NR1H2 P55055 1/20 0.36
HPGD P15428 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL792679 1.00 CHRM2 (0.57) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL30994163 1.00 CHRM2 (0.57) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL5233794 0.92 CHRM2 (0.59) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL5233802 0.92 CHRM2 (0.59) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL6081416 0.92 CHRM2 (0.59) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL23327166 0.92 CHRM2 (0.59) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL16039763 0.92 CHRM2 (0.59) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL21349755 0.87 CHRM2 (0.57) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL30994513 0.84 CHRM2 (0.54) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL413955 0.84 CHRM2 (0.54) CHRM2CHRM1CHRM3PREPHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261210-B1 3-SUBSTITUTED SULFONYL PIPERAZINE DERIVATIVE MSD KK (JP) 2014-10-22 EP disclosed
US-8367698-B2 3-substituted sulfonyl piperidine derivative MSD K.K. (JP) 2013-02-05 US disclosed
US-20120232109-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE NAGASE TSUYOSHI (JP) 2012-09-13 US disclosed
US-8188280-B2 3-substituted sulfonyl piperidine derivative MSD K.K. (JP) 2012-05-29 US disclosed
US-20100331360-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE MSD K.K. (JP) 2010-12-30 US disclosed
EP-2261210-A1 3-SUBSTITUTED SULFONYL PIPERAZINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-15 EP 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-20100331360-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE H1-3, H1-0, H1-2 CHRM2 4/4885CHRM1 6/4885CHRM3 21/4885
US-20120232109-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE H1-3, H1-0, H1-2 CHRM2 4/4885CHRM1 6/4885CHRM3 21/4885

“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.