SCHEMBL484925

SCHEMBL484925

CS(=O)(=O)OCCOC1CCC2(CC1)CCN(C(=O)O)CC2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.38
ITGA2B P08514 8/20 0.38
GPR119 Q8TDV5 3/20 0.35
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM3 P20309 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
SCHEMBL3816311 0.86 NAMPT (0.34) ITGB3ITGA2BGPR119TAAR1
SCHEMBL484279 0.84 GPR119 (0.53) GPR119
SCHEMBL485207 0.80 ITGB3 (0.42) ITGB3ITGA2BCYP2D6CHRM2CHRM3
SCHEMBL485230 0.80 CYP2C19 (0.36) ITGB3ITGA2BGPR119CYP2D6CYP2C19
SCHEMBL27166448 0.79 ITGB3 (0.41) ITGB3ITGA2BCYP2D6
SCHEMBL484653 0.73 ITGB3 (0.41) ITGB3ITGA2BCYP2D6
SCHEMBL2205934 0.73 KDM4E (0.35)
SCHEMBL8250804 0.73 USP2 (0.48)
SCHEMBL484688 0.72 ITGB3 (0.40) ITGB3ITGA2BCYP2D6
SCHEMBL22462790 0.72 KDM4E (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN ITGB3 3292/4885ITGA2B 3190/4885GPR119 206/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ITGB3 3292/4885ITGA2B 3190/4885GPR119 206/4885

“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.