SCHEMBL5742535

SCHEMBL5742535

CC(C)CC(=O)N1CCCC1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.62
REN P00797 4/20 0.62
RAB9A P51151 1/20 0.60
KDM4E B2RXH2 1/20 0.58
F2 P00734 1/20 0.58
LMNA P02545 1/20 0.58
LTA4H P09960 1/20 0.58
MAPT P10636 1/20 0.58
PEPD P12955 1/20 0.58
ALOX15 P16050 1/20 0.58
PTGS1 P23219 1/20 0.58
HTR2A P28223 1/20 0.58
PTGS2 P35354 1/20 0.58
HRH1 P35367 1/20 0.58
THPO P40225 1/20 0.58
PMP22 Q01453 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ACE2 Q9BYF1 1/20 0.58

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
SCHEMBL15854285 1.00 ACE (0.62) ACERENRAB9AKDM4EF2
SCHEMBL5742529 1.00 ACE (0.62) ACERENRAB9AKDM4EF2
SCHEMBL26213247 0.95 ACE (0.56) ACERENRAB9AKDM4EF2
SCHEMBL21246655 0.88 ACE (0.60) ACERENRAB9AKDM4EF2
SCHEMBL21246658 0.88 ACE (0.60) ACERENRAB9AKDM4EF2
SCHEMBL7380841 0.87 ACE (0.59) ACERENRAB9AKDM4EF2
SCHEMBL11581559 0.87 ACE (0.63) ACERENRAB9AKDM4EF2
SCHEMBL15791258 0.86 SMN1; SMN2 (0.49) ACERENRAB9AKDM4EF2
SCHEMBL26724942 0.86 SMN1; SMN2 (0.49) ACERENRAB9AKDM4EF2
SCHEMBL11558594 0.85 ACE (0.66) ACERENRAB9AKDM4EF2

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
US-6531612-B2 Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis HOFFMAN-LA ROCHE INC. 2003-03-11 US claimed
US-20010008901-A1 Nitrile derivatives that inhibit cathepsin K F. HOFFMANN-LA ROCHE AG (CH) 2001-07-19 US claimed
US-11014941-B2 Pyrrolopyrimidine derivatives useful as inhibitors of influenza virus replication COCRYSTAL PHARMA, INC. (US) 2021-05-25 US disclosed
US-20200123177-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA, INC. 2020-04-23 US disclosed
US-9388162-B2 Substituted morphinans and the use thereof PURDUE PHARMA L.P. (US) 2016-07-12 US disclosed
US-20150175571-A1 Substituted Morphinans and the Use Thereof PURDUE PHARMA L.P. 2015-06-25 US disclosed
US-8946255-B2 Substituted morphinans and the use thereof PURDUE PHARMA L.P. (US) 2015-02-03 US disclosed
US-20140187573-A1 Substituted Morphinans and the Use Thereof PURDUE PHARMA L.P. (US) 2014-07-03 US disclosed
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 US disclosed
EP-1244621-B1 NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS HOFFMANN LA ROCHE (CH) 2006-09-13 EP disclosed
US-6531612-B2 Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis HOFFMAN-LA ROCHE INC. 2003-03-11 US disclosed
US-20010008901-A1 Nitrile derivatives that inhibit cathepsin K F. HOFFMANN-LA ROCHE AG (CH) 2001-07-19 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 (7 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-11014941-B2 Pyrrolopyrimidine derivatives useful as inhibitors of influenza virus replication ITPA, POLR2H, POLR2E ACE 17/4885REN 186/4885RAB9A 1737/4885
US-20150175571-A1 Substituted Morphinans and the Use Thereof OPRL1, OPRM1, OPRK1 ACE 3540/4885REN 310/4885RAB9A 1218/4885
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 ACE 226/4885REN 988/4885RAB9A 2105/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 ACE 226/4885REN 988/4885RAB9A 2105/4885
US-20140187573-A1 Substituted Morphinans and the Use Thereof OPRL1, OPRM1, OPRK1 ACE 3540/4885REN 310/4885RAB9A 1218/4885
US-20200123177-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF INFLUENZA VIRUS REPLICATION ITPA, POLR2H, POLR2E ACE 17/4885REN 186/4885RAB9A 1737/4885
US-20010008901-A1 Nitrile derivatives that inhibit cathepsin K CTSK, CTSH, CTSS ACE 42/4885REN 64/4885RAB9A 1522/4885

“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.