SCHEMBL740952

SCHEMBL740952

C[C@@]1(C(=O)O)CN(CCc2ccccc2)C(=O)C12CC2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 1/20 0.43
OPRM1 P35372 6/20 0.43
SIGMAR1 Q99720 5/20 0.43
KCNH2 Q12809 3/20 0.41
POLB P06746 2/20 0.41
HTT P42858 1/20 0.40
GRM2 Q14416 1/20 0.40
OPRD1 P41143 1/20 0.39
ACHE P22303 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL740806 0.84 POLB (0.39) BDKRB2OPRM1SIGMAR1KCNH2POLB
SCHEMBL3979671 0.81 OPRM1 (0.40) OPRM1SIGMAR1POLBOPRD1ALDH1A1
SCHEMBL739715 0.81 SIGMAR1 (0.44) BDKRB2OPRM1SIGMAR1KCNH2HTT
SCHEMBL4772742 0.74 SIGMAR1 (0.41) BDKRB2OPRM1SIGMAR1POLBOPRD1
SCHEMBL4772739 0.74 SIGMAR1 (0.41) BDKRB2OPRM1SIGMAR1POLBOPRD1
SCHEMBL2761877 0.72 ACHE (0.44) OPRM1SIGMAR1KCNH2POLBHTT
SCHEMBL740951 0.69 KMT2A (0.44) OPRM1OPRD1KMT2A
SCHEMBL3566447 0.67 SLC6A3 (0.54) OPRM1SIGMAR1KCNH2OPRD1ACHE
SCHEMBL2762344 0.67 SIGMAR1 (0.43) OPRM1SIGMAR1KCNH2GRM2ALDH1A1
SCHEMBL2762030 0.66 SIGMAR1 (0.42) OPRM1SIGMAR1KCNH2POLBGRM2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
EP-2000467-B1 HYDRATE FOR MEDICAL PURPOSES DAIICHI SANKYO CO LTD (JP) 2014-10-01 EP disclosed
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-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-08 US disclosed
US-7563805-B2 7-[3-Amino-3,4-dimethylpyrrolidine-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-8-methyl-4-oxoquinoline-3-carboxylic acid: quinoline bactericide; broad spectrum, strong antibacterial activity for Grampositive/-negative including multiple resistant cocci; side effect reductcion; drug design DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-07-21 US disclosed
EP-2000467-A9 HYDRATE FOR MEDICAL PURPOSES Daiichi Sankyo Company, Limited (JP) 2009-03-18 EP disclosed
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
EP-2000467-A2 HYDRATE FOR MEDICAL PURPOSES Daiichi Sankyo Company, Limited (JP) 2008-12-10 EP 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
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-23 US 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 (6 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 BDKRB2 4704/4885OPRM1 3694/4885SIGMAR1 3402/4885
US-20090270637-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF DHPS, SQLE, NQO2 BDKRB2 4090/4885OPRM1 3784/4885SIGMAR1 3153/4885
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative QTRT1, RRS1, LAS1L BDKRB2 3721/4885OPRM1 606/4885SIGMAR1 113/4885
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, ARL1, NQO2 BDKRB2 4382/4885OPRM1 2105/4885SIGMAR1 1394/4885
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 BDKRB2 4242/4885OPRM1 765/4885SIGMAR1 872/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 BDKRB2 4165/4885OPRM1 821/4885SIGMAR1 1238/4885

“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.