SCHEMBL2761877

SCHEMBL2761877

C[C@]1(C(=O)O)CC(=O)N(CCc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
BACE1 P56817 3/20 0.41
GRM2 Q14416 1/20 0.41
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
HPGD P15428 1/20 0.40
OPRM1 P35372 1/20 0.40
KCNH2 Q12809 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL741181 0.83 POLB (0.40) ACHEALDH1A1L3MBTL1HTTKMT2A
SCHEMBL740952 0.72 BDKRB2 (0.43) ACHEALDH1A1MEN1HTTKMT2A
SCHEMBL3566447 0.72 SLC6A3 (0.54) ACHEMEN1MAPTKMT2ASIGMAR1
SCHEMBL16468113 0.71 GAA (0.48) ALDH1A1L3MBTL1MEN1GAAMAPT
SCHEMBL17184676 0.69 FFAR3 (0.41)
SCHEMBL2762344 0.69 SIGMAR1 (0.43) ALDH1A1L3MBTL1GRM2SIGMAR1OPRM1
SCHEMBL2762030 0.68 SIGMAR1 (0.42) ALDH1A1L3MBTL1HDAC6GRM2POLB
Acetic Acid SCHEMBL27488766 0.68 TAAR1 (0.46) ACHEALDH1A1L3MBTL1MEN1USP2
SCHEMBL27671990 0.67 SLC6A3 (0.52) MEN1KMT2AGRM2SIGMAR1KCNH2
SCHEMBL8882974 0.67 KMT2A (0.46) ALDH1A1L3MBTL1MEN1GAAKMT2A

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 16 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-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
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
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 ACHE 3605/4885ALDH1A1 1679/4885L3MBTL1 4417/4885
US-20090270637-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF DHPS, SQLE, NQO2 ACHE 2093/4885ALDH1A1 515/4885L3MBTL1 4884/4885
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative QTRT1, RRS1, LAS1L ACHE 4337/4885ALDH1A1 3966/4885L3MBTL1 214/4885
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, ARL1, NQO2 ACHE 3765/4885ALDH1A1 614/4885L3MBTL1 4129/4885
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 ACHE 3195/4885ALDH1A1 3018/4885L3MBTL1 921/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 ACHE 3652/4885ALDH1A1 4075/4885L3MBTL1 1350/4885

“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.