SCHEMBL578346

SCHEMBL578346

CC(=O)N1CCC(O)(c2ccc(-c3cncc4ccc(C(=O)OCC[Si](C)(C)C)cc34)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.42
CDK8 P49336 5/20 0.42
SLC22A12 Q96S37 5/20 0.37
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MCHR1 Q99705 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
CYP46A1 Q9Y6A2 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
SCHEMBL578334 0.86 ACVR1 (0.48) CCNCCDK8SLC22A12TGFBR1ACVR1
SCHEMBL578478 0.84 CCNC (0.45) CCNCCDK8SLC22A12CYP11B1CYP11B2
SCHEMBL578539 0.83 CCNC (0.47) CCNCCDK8SLC22A12CYP11B1CYP11B2
SCHEMBL578747 0.80 SLC22A12 (0.46) CCNCCDK8SLC22A12SMN1; SMN2
SCHEMBL578953 0.79 SLC22A12 (0.45) CCNCCDK8SLC22A12SMN1; SMN2
SCHEMBL578441 0.79 CYP11B1 (0.45) CCNCCDK8SLC22A12CYP11B1CYP11B2
SCHEMBL578413 0.78 SLC22A12 (0.43) CCNCCDK8SLC22A12SMN1; SMN2
SCHEMBL27885037 0.77 CYP11B2 (0.52) CCNCCDK8CYP11B1CYP11B2CYP46A1
SCHEMBL578517 0.76 CCNC (0.44) CCNCCDK8SLC22A12SMN1; SMN2
SCHEMBL578667 0.76 CCNC (0.46) CCNCCDK8SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418203-B1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO CO LTD (JP) 2013-12-11 EP disclosed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 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 (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-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP BMP2, BMP4, BMP6 CCNC 1592/4885CDK8 2959/4885SLC22A12 1300/4885

“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.