SCHEMBL3977702

SCHEMBL3977702

CCOC(=O)C1(C)CN(C(=O)OCc2ccccc2)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
HTR2C P28335 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MDM2 Q00987 1/20 0.43
TMEM97 Q5BJF2 5/20 0.42
SIGMAR1 Q99720 5/20 0.42
HRH2 P25021 2/20 0.42
HRH1 P35367 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL30069356 0.88 MEN1 (0.46) MEN1KMT2ANPSR1RAB9ASMN1; SMN2
SCHEMBL3983032 0.88 MEN1 (0.49) MEN1KMT2ANPSR1RAB9ASMN1; SMN2
SCHEMBL4172323 0.88 MEN1 (0.49) MEN1KMT2ANPSR1RAB9ASMN1; SMN2
SCHEMBL4172318 0.88 MEN1 (0.49) MEN1KMT2ANPSR1RAB9ASMN1; SMN2
SCHEMBL26621415 0.86 TMEM97 (0.47) MEN1KMT2ANPSR1RAB9ASMN1; SMN2
SCHEMBL3976953 0.86 MEN1 (0.43) MEN1KMT2ANPSR1RAB9ASMN1; SMN2
SCHEMBL27733730 0.86 MEN1 (0.43) MEN1KMT2ANPSR1RAB9ASMN1; SMN2
SCHEMBL3975093 0.86 MEN1 (0.43) MEN1KMT2ANPSR1RAB9ASMN1; SMN2
SCHEMBL18088149 0.85 TMEM97 (0.46) MEN1KMT2ANPSR1RAB9ASMN1; SMN2
SCHEMBL18088148 0.85 TMEM97 (0.44) MEN1KMT2ANPSR1RAB9ASMN1; 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 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-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 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-1882689-A1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP disclosed
EP-1187835-B1 OPTICALLY ACTIVE QUINOLINE CARBOXYLIC ACID DERIVATIVES HAVING 7-PYRROLIDINE SUBSTITUTES CAUSING OPTICAL ACTIVITY AND A PROCESS FOR PREPARING THEREOF DONG WHA PHARM IND CO LTD (KR) 2007-12-26 EP disclosed
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-23 US disclosed
US-6753430-B2 GRAM-POSITIVE BACTERIA; METHICILLINE-RESISTANT STAPHYLOCOCCI; NONPHYTOTOXIC; 1,8-NAPHTHYRI-4-DONE DERIVATIVES DONG WHA PHARM. IND. CO., LTD (KR) 2004-06-22 US disclosed
US-20040029915-A1 Optically active quinoline carboxylic acid derivatives with 7-pyrrolidine substituents causing optical activity and a process for the preparation thereof ARIBIO CO., LTD. (KR) 2004-02-12 US disclosed
US-6649763-B1 Nonphototoxic quinolone antibiotics, formed by ketalization and imination of quinoline carboxylic acid in the presence of acid acceptors DONG WHA PHARM. IND. CO., LTD. (KR) 2003-11-18 US disclosed
EP-1187835-A4 OPTICALLY ACTIVE QUINOLINE CARBOXYLIC ACID DERIVATIVES HAVING 7-PYRROLIDINE SUBSTITUTES CAUSING OPTICAL ACTIVITY AND A PROCESS FOR PREPARING THEREOF DONG WHA PHARM IND CO LTD (KR) 2003-01-29 EP disclosed
EP-1187835-A1 OPTICALLY ACTIVE QUINOLINE CARBOXYLIC ACID DERIVATIVES HAVING 7-PYRROLIDINE SUBSTITUTES CAUSING OPTICAL ACTIVITY AND A PROCESS FOR PREPARING THEREOF DONG WHA PHARMACEUTICAL INDUSTRIAL CO. LTD. (KR) 2002-03-20 EP disclosed
WO-2000071541-A1 OPTICALLY ACTIVE QUINOLINE CARBOXYLIC ACID DERIVATIVES HAVING 7-PYRROLIDINE SUBSTITUTES CAUSING OPTICAL ACTIVITY AND A PROCESS FOR PREPARING THEREOF DONG WHA PHARM. IND. CO., LTD. (KR) 2000-11-30 WO 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 (4 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-20040029915-A1 Optically active quinoline carboxylic acid derivatives with 7-pyrrolidine substituents causing optical activity and a process for the preparation thereof CYP3A7, CYP3A5, NQO2 MEN1 4419/4885KMT2A 2854/4885NPSR1 3775/4885
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative QTRT1, RRS1, LAS1L MEN1 3221/4885KMT2A 2638/4885NPSR1 628/4885
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 MEN1 3925/4885KMT2A 3317/4885NPSR1 2452/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 MEN1 4329/4885KMT2A 3178/4885NPSR1 3409/4885

“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.