SCHEMBL5416784

SCHEMBL5416784

C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.50
CTSL P07711 2/20 0.50
CTSB P07858 1/20 0.50
HRH2 P25021 2/20 0.46
HRH1 P35367 2/20 0.46
PREP P48147 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.40
CYP2D6 P10635 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
SCHEMBL13287349 1.00 CTSK (0.50) CTSKCTSLCTSBHRH2HRH1
SCHEMBL23845173 1.00 CTSK (0.50) CTSKCTSLCTSBHRH2HRH1
SCHEMBL5451133 0.98 CTSK (0.49) CTSKCTSLCTSBHRH2HRH1
SCHEMBL4766548 0.98 CTSK (0.49) CTSKCTSLCTSBHRH2HRH1
SCHEMBL5435526 0.98 CTSK (0.49) CTSKCTSLCTSBHRH2HRH1
SCHEMBL13399539 0.94 CTSK (0.46) CTSKCTSLCTSBHRH2HRH1
SCHEMBL4180221 0.87 HRH2 (0.49) CTSKCTSLCTSBHRH2HRH1
SCHEMBL4791635 0.87 HRH2 (0.49) CTSKCTSLCTSBHRH2HRH1
SCHEMBL25118868 0.87 HRH2 (0.49) CTSKCTSLCTSBHRH2HRH1
SCHEMBL1706224 0.85 CTSK (0.64) CTSKCTSLCTSBHRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392422-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2019-08-27 US disclosed
US-10351595-B2 2019-07-16 US disclosed
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2017-03-30 US disclosed
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2017-03-30 US disclosed
WO-2015179441-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2015-11-26 WO disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-7173024-B2 Compounds having prolyl oligopeptidase inhibitory activity, methods for their preparation and their use ORION CORPORATION (FI) 2007-02-06 US disclosed
US-20050020677-A1 Compounds having prolyl oligopeptidase inhibitory activity, methods for their preparation and their use ORION CORPORATION (FI) 2005-01-27 US disclosed
EP-1401810-A1 COMPOUNDS HAVING PROLYL OLIGOPEPTIDASE INHIBITORY ACTIVITY, METHODS FOR THEIR PREPARATION AND THEIR USE ORION CORPORATION (FI) 2004-03-31 EP disclosed
WO-2003004468-A1 COMPOUNDS HAVING PROLYL OLIGOPEPTIDASE INHIBITORY ACTIVITY, METHODS FOR THEIR PREPARATION AND THEIR USE ORION CORPORATION (FI) 2003-01-16 WO disclosed
WO-1992022279-A2 N-[ARYLETHYL]-N-ALKYL-2-(1-PYRROLIDINYL)ETHYLAMINE DERIVATIVES FOR CNS DISORDERS G.D. SEARLE & CO. (US) 1992-12-23 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-10351595-B2 MRPL21, PRSS1, PEPD CTSK 343/4885CTSL 77/4885CTSB 53/4885
US-20050020677-A1 Compounds having prolyl oligopeptidase inhibitory activity, methods for their preparation and their use DNPEP, PREP, ANPEP CTSK 178/4885CTSL 81/4885CTSB 106/4885
US-10392422-B2 Macrocyclic broad spectrum antibiotics MRPL21, PEPD, CTSC CTSK 228/4885CTSL 74/4885CTSB 47/4885
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC CTSK 228/4885CTSL 74/4885CTSB 47/4885

“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.