SCHEMBL2761683

SCHEMBL2761683

C[C@@]1(C(=O)O)CN(CCc2ccccc2)C(=O)C1CCOS(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
OPRM1 P35372 1/20 0.38
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
GRM2 Q14416 1/20 0.34
RAB9A P51151 1/20 0.34
ACHE P22303 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 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
SCHEMBL741114 0.89 L3MBTL1 (0.38) SMN1; SMN2L3MBTL1KCNH2SIGMAR1OPRM1
SCHEMBL3976127 0.87 POLB (0.38) SMN1; SMN2L3MBTL1KCNH2SIGMAR1OPRM1
SCHEMBL2762344 0.82 SIGMAR1 (0.43) SMN1; SMN2L3MBTL1KCNH2SIGMAR1OPRM1
SCHEMBL2762030 0.82 SIGMAR1 (0.42) SMN1; SMN2L3MBTL1KCNH2SIGMAR1OPRM1
SCHEMBL2761682 0.78 KMT2A (0.37) SMN1; SMN2KMT2AMEN1
SCHEMBL741073 0.72 L3MBTL1 (0.42) SMN1; SMN2L3MBTL1KCNH2SIGMAR1OPRM1
SCHEMBL3975998 0.72 POLB (0.40) SMN1; SMN2L3MBTL1KCNH2SIGMAR1OPRM1
SCHEMBL2762013 0.71 SIGMAR1 (0.39) SMN1; SMN2L3MBTL1KCNH2SIGMAR1OPRM1
SCHEMBL2762012 0.66 SIGMAR1 (0.41) SMN1; SMN2L3MBTL1KCNH2SIGMAR1OPRM1
SCHEMBL2476597 0.66 CA1 (0.63) KCNH2KMT2AMEN1TSHRHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1882689-B1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-07-10 EP disclosed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-8378119-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 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-8211910-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-07-03 US disclosed
EP-2463274-A1 Tri-or tetra-substituted-3-aminopyrrolidine deritatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-13 EP 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-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-08 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
EP-1882689-A1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES 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 (5 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 SMN1; SMN2 4344/4885L3MBTL1 4417/4885KCNH2 1767/4885
US-20090270637-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF DHPS, SQLE, NQO2 SMN1; SMN2 4705/4885L3MBTL1 4884/4885KCNH2 2641/4885
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, ARL1, NQO2 SMN1; SMN2 4681/4885L3MBTL1 4129/4885KCNH2 670/4885
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 SMN1; SMN2 4372/4885L3MBTL1 921/4885KCNH2 2260/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 SMN1; SMN2 4709/4885L3MBTL1 1350/4885KCNH2 2584/4885

“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.