SCHEMBL17536013

SCHEMBL17536013

C=C1CN(C(=O)OC(C)(C)C)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
NR1H2 P55055 2/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
BUB1 O43683 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35
ESR2 Q92731 1/20 0.34
KDM1A O60341 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL24695638 0.82 GRIN2B (0.38) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL17536005 0.81 BUB1 (0.39) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL23537540 0.77 NR1H2 (0.35) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL23537542 0.77 NR1H2 (0.35) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL19794726 0.74 EPHX2 (0.41) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL26884952 0.74 USP2 (0.42) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL25331824 0.74 BUB1 (0.35) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL34465277 0.74 GPR119 (0.35) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL28854066 0.74 BUB1 (0.35) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL4134038 0.73 CTSK (0.37) NR1H2USP2SMN1; SMN2GPR119BUB1

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
EP-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 EP disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 US disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 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-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 CHRM2 2311/4885CHRM1 1979/4885CHRM3 2017/4885

“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.