SCHEMBL484653

SCHEMBL484653

O=CCOC1CCC2(CC1)CCN(C(=O)O)CC2

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.41
ITGA2B P08514 9/20 0.41
FFAR4 Q5NUL3 8/20 0.33
FFAR1 O14842 1/20 0.33
NAMPT P43490 1/20 0.32
CYP2D6 P10635 1/20 0.31

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
SCHEMBL484688 0.87 ITGB3 (0.40) ITGB3ITGA2BCYP2D6
SCHEMBL485297 0.81 GPR119 (0.46) NAMPT
SCHEMBL485207 0.80 ITGB3 (0.42) ITGB3ITGA2BCYP2D6
SCHEMBL27166448 0.79 ITGB3 (0.41) ITGB3ITGA2BFFAR4FFAR1CYP2D6
SCHEMBL16466074 0.76 FFAR4 (0.43) ITGB3ITGA2BFFAR4FFAR1
SCHEMBL27152498 0.74 FFAR4 (0.42) FFAR4FFAR1
SCHEMBL27146272 0.74 ITGB3 (0.35) ITGB3ITGA2BFFAR4FFAR1
SCHEMBL484925 0.73 ITGB3 (0.38) ITGB3ITGA2BCYP2D6
SCHEMBL26092099 0.73
SCHEMBL18046881 0.73 ITGB3 (0.54) ITGB3ITGA2B

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 3190/4885FFAR4 989/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ITGB3 3292/4885ITGA2B 3190/4885FFAR4 989/4885

“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.