SCHEMBL4041880

SCHEMBL4041880

CC(C)CC(CC(=O)N1CCOCC1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.42
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
POLB P06746 1/20 0.36
REN P00797 5/20 0.36
DPP4 P27487 1/20 0.35
DPP9 Q86TI2 1/20 0.35
SNRNP200 O75643 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DCTPP1 Q9H773 1/20 0.33
PIK3CD O00329 1/20 0.33

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
SCHEMBL4041281 0.91 CTSK (0.40) CTSKCTSLCTSSRENDPP4
SCHEMBL4042637 0.91 CTSK (0.43) CTSKCTSLCTSSRENDPP4
SCHEMBL4040993 0.90 CTSK (0.43) CTSKCTSLCTSSDPP4DPP9
SCHEMBL4043803 0.90 CTSK (0.42) CTSKCTSLCTSSDPP4DPP9
SCHEMBL4041501 0.88 CTSS (0.42) CTSKCTSLCTSSREN
SCHEMBL4040009 0.87 CTSK (0.42) CTSKCTSLCTSSPOLBL3MBTL1
SCHEMBL4041553 0.87 CTSK (0.41) CTSKCTSLCTSSDPP4DPP9
SCHEMBL4043246 0.87 POLB (0.36) CTSKCTSLCTSSPOLBREN
SCHEMBL4042730 0.85 CTSK (0.40) CTSKCTSLCTSSDPP4DPP9
SCHEMBL4042797 0.84 CTSK (0.45) CTSKCTSLCTSSPOLBREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132193-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS Boehringer Ingelheim International GmbH (DE) 2009-12-16 EP claimed
EP-2051975-A2 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS Boehringer Ingelheim International GmbH (DE) 2009-04-29 EP claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
EP-1987021-A1 SUBSTITUTED PROLINAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-05 EP claimed
WO-2008116881-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-02 WO claimed
EP-1910345-A1 SUBSTITUTED AMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Boehringer Ingelheim International GmbH (DE) 2008-04-16 EP claimed
EP-1858890-A1 NOVEL ANTITHROMBOTIC SUBSTITUTED PYRROLIDINONES, THE PRODUCTION AND USE THEREOF IN THE FORM OF MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-11-28 EP claimed
WO-2007131982-A2 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 WO claimed
EP-1836198-A1 SUBSTITUTED PYRROLIDINONES HAVING AN ANTITHROMBOTIC EFFECT, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-09-26 EP claimed
WO-2007093595-A1 SUBSTITUTED PROLINAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-23 WO claimed
EP-1797080-A1 NOVEL SUBSTITUTED THIOPHENCARBOXYLIC ACID AMIDES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-06-20 EP claimed
WO-2007009963-A1 SUBSTITUTED AMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-25 WO claimed
WO-2006089909-A1 NOVEL ANTITHROMBOTIC SUBSTITUTED PYRROLIDINONES, THE PRODUCTION AND USE THEREOF IN THE FORM OF MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-31 WO claimed
WO-2006069946-A1 SUBSTITUTED PYRROLIDINONES HAVING AN ANTITHROMBOTIC EFFECT, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 WO claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
WO-2006034822-A1 NOVEL SUBSTITUTED THIOPHENCARBOXYLIC ACID AMIDES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-06 WO claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-2132193-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS Boehringer Ingelheim International GmbH (DE) 2009-12-16 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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 (1 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSL 57/4885CTSS 3/4885

“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.