SCHEMBL2762013

SCHEMBL2762013

CC(C)(C)[Si](C)(C)C(O)CC1C(=O)N(CCc2ccccc2)C[C@@]1(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.39
OPRM1 P35372 10/20 0.39
KCNH2 Q12809 7/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.34
GRM2 Q14416 1/20 0.34
POLB P06746 1/20 0.33
HTT P42858 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
SCHEMBL2762012 0.80 SIGMAR1 (0.41) SIGMAR1OPRM1KCNH2SMN1; SMN2L3MBTL1
SCHEMBL2762344 0.77 SIGMAR1 (0.43) SIGMAR1OPRM1KCNH2SMN1; SMN2L3MBTL1
SCHEMBL2762030 0.76 SIGMAR1 (0.42) SIGMAR1OPRM1KCNH2SMN1; SMN2L3MBTL1
SCHEMBL740949 0.72 SMN1; SMN2 (0.41) SIGMAR1OPRM1KCNH2SMN1; SMN2L3MBTL1
SCHEMBL2761683 0.71 SMN1; SMN2 (0.39) SIGMAR1OPRM1KCNH2SMN1; SMN2L3MBTL1
SCHEMBL741073 0.69 L3MBTL1 (0.42) SIGMAR1OPRM1KCNH2SMN1; SMN2L3MBTL1
SCHEMBL3979406 0.69 L3MBTL1 (0.37) SIGMAR1OPRM1KCNH2SMN1; SMN2L3MBTL1
SCHEMBL741114 0.65 L3MBTL1 (0.38) SIGMAR1OPRM1KCNH2SMN1; SMN2L3MBTL1
SCHEMBL2761877 0.62 ACHE (0.44) SIGMAR1OPRM1KCNH2SMN1; SMN2L3MBTL1
SCHEMBL740952 0.60 BDKRB2 (0.43) SIGMAR1OPRM1KCNH2GRM2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378119-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-7842818-B2 Process for preparation of tetrasubstituted 5-azaspiro[2.4]- heptane derivatives and optically active intermediates thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-11-30 US disclosed
US-20090270637-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-10-29 US disclosed
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
EP-1930321-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF Daiichi Sankyo Company, Limited (JP) 2008-06-11 EP disclosed
EP-1882685-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-01-30 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 (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-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DHPS, COASY, NQO2 SIGMAR1 3402/4885OPRM1 3694/4885KCNH2 1767/4885
US-20090270637-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF DHPS, SQLE, NQO2 SIGMAR1 3153/4885OPRM1 3784/4885KCNH2 2641/4885
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, ARL1, NQO2 SIGMAR1 1394/4885OPRM1 2105/4885KCNH2 670/4885

“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.