SCHEMBL211420

SCHEMBL211420

CC(C)(C)OC(=O)N1C(=O)CCC1C(C)(C)O[SiH2]C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ELANE P08246 1/20 0.33
DDB1 Q16531 2/20 0.32
CRBN Q96SW2 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.31
WNT3 P56703 1/20 0.30
SFRP1 Q8N474 1/20 0.30
GPR119 Q8TDV5 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
SCHEMBL11917918 0.81 CHRM2 (0.42) CHRM2CHRM1CHRM3ELANEDDB1
SCHEMBL4555170 0.81 GPR119 (0.37) KDM4EWNT3SFRP1GPR119
SCHEMBL31133635 0.79 CHRM2 (0.41) CHRM2CHRM1CHRM3ELANEDDB1
SCHEMBL17113461 0.79 CHRM2 (0.41) CHRM2CHRM1CHRM3ELANEDDB1
SCHEMBL17113459 0.79 CHRM2 (0.41) CHRM2CHRM1CHRM3ELANEDDB1
SCHEMBL25650059 0.79 CHRM2 (0.41) CHRM2CHRM1CHRM3ELANEDDB1
SCHEMBL8972522 0.76 CHRM2 (0.35) CHRM2CHRM1CHRM3ELANEDDB1
SCHEMBL28285326 0.75 CHRM2 (0.38) CHRM2CHRM1CHRM3ELANEDDB1
SCHEMBL585209 0.75 KDM4E (0.34) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL585012 0.75 KDM4E (0.34) DDB1CRBNKDM4EMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CHRM2 35/4885CHRM1 63/4885CHRM3 29/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CHRM2 35/4885CHRM1 63/4885CHRM3 29/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CHRM2 35/4885CHRM1 63/4885CHRM3 29/4885

“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.