SCHEMBL2735523

SCHEMBL2735523

CC(C)C(N)C(=O)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.46
DPP7 Q9UHL4 12/20 0.46
DPP8 Q6V1X1 4/20 0.46
FAP Q12884 3/20 0.46
DPP9 Q86TI2 3/20 0.46
PREP P48147 2/20 0.46
PITRM1 Q5JRX3 1/20 0.46
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
SLC7A5 Q01650 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP8 P22894 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
SCHEMBL19982029 1.00 DPP4 (0.46) DPP4DPP7DPP8FAPDPP9
SCHEMBL15203539 1.00 DPP4 (0.46) DPP4DPP7DPP8FAPDPP9
SCHEMBL111112 0.98 DPP4 (0.47) DPP4DPP7DPP8FAPDPP9
SCHEMBL1951493 0.98 DPP4 (0.47) DPP4DPP7DPP8FAPDPP9
SCHEMBL296935 0.98 DPP4 (0.47) DPP4DPP7DPP8FAPDPP9
Hydrochloric Acid SCHEMBL25318201 0.96 DPP4 (0.46) DPP4DPP7DPP8FAPDPP9
Hydrochloric Acid SCHEMBL9512282 0.96 DPP4 (0.46) DPP4DPP7DPP8FAPDPP9
Hydrochloric Acid SCHEMBL9512271 0.96 DPP4 (0.46) DPP4DPP7DPP8FAPDPP9
SCHEMBL9102765 0.93 DPP4 (0.47) DPP4DPP7DPP8FAPDPP9
SCHEMBL9102749 0.93 DPP4 (0.47) DPP4DPP7DPP8FAPDPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339635-A1 CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT FROM S. AUREUS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2020-10-29 US disclosed
US-10723770-B2 Crystal structure of the large ribosomal subunit from S. aureus YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2020-07-28 US disclosed
US-20200131232-A1 CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT FROM S. AUREUS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2020-04-30 US disclosed
US-10556934-B2 Crystal structure of the large ribosomal subunit from S. aureus YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2020-02-11 US disclosed
EP-3250585-B1 CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT FROM S. AUREUS YEDA RES & DEV (IL) 2019-08-14 EP disclosed
US-20180009853-A1 CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT FROM S. AUREUS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-01-11 US disclosed
EP-3250585-A1 CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT FROM S. AUREUS Yeda Research and Development Co., Ltd. (IL) 2017-12-06 EP disclosed
WO-2016120868-A1 CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT FROM S. AUREUS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-08-04 WO disclosed
US-8624033-B2 Pleuromutilins and process for the preparation of pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2014-01-07 US disclosed
US-20130053571-A1 PLEUROMUTILINS AND PROCESS FOR THE PREPARATION OF PLEUROMUTILINS NABRIVA THERAPEUTICS AG (AT) 2013-02-28 US disclosed
US-7714018-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2010-05-11 US disclosed
US-20090253748-A1 PROCESS FOR THE PREPARATION OF PLEUROMUTILINS NABRIVA THERAPEUTICS AG (AT) 2009-10-08 US disclosed
US-20090253748-A1 PROCESS FOR THE PREPARATION OF PLEUROMUTILINS NABRIVA THERAPEUTICS AG (AT) 2009-10-08 US disclosed
US-20090209584-A1 Antibacterial mutilins NABRIVA THERAPEUTICS FORSCHUNGS AG (AT) 2009-08-20 US disclosed
US-7569587-B2 Antibacterial mutilins NABRIVA THERAPEUTICS AG (AT) 2009-08-04 US disclosed
WO-2008040043-A1 PROCESS FOR THE PREPARATION OF PLEUROMUTILINS NABRIVA THERAPEUTICS AG (AT) 2008-04-10 WO disclosed
US-20070117859-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-05-24 US disclosed
US-7169804-B2 Antibacterial mutilins Nabriva Therapeutics GmbH (AT) 2007-01-30 US disclosed
US-7164019-B2 Such as cyclopentanecarboxylic acid {(S)-1-phenyl-3-[5-(pyridine-3-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-propyl}-amide; antagonists of chemokine receptors, useful for treating/preventing human immunodeficiency virus infection, AIDS or ARC ROCHE PALO ALTO LLC (US) 2007-01-16 US disclosed
US-20060014767-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-01-19 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 (10 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-10723770-B2 Crystal structure of the large ribosomal subunit from S. aureus MRPS27, MRPS35, MRPS23 DPP4 4374/4885DPP7 4034/4885DPP8 4043/4885
US-20130053571-A1 PLEUROMUTILINS AND PROCESS FOR THE PREPARATION OF PLEUROMUTILINS PLEC, MLN, PTMA DPP4 1654/4885DPP7 1130/4885DPP8 3176/4885
US-20090209584-A1 Antibacterial mutilins MRPS18B, MRPS27, MSRB3 DPP4 3293/4885DPP7 2379/4885DPP8 3096/4885
US-20060014767-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 DPP4 1952/4885DPP7 1919/4885DPP8 2056/4885
US-20090253748-A1 PROCESS FOR THE PREPARATION OF PLEUROMUTILINS PLEC, MLN, PTMA DPP4 2017/4885DPP7 1451/4885DPP8 3477/4885
US-20200339635-A1 CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT FROM S. AUREUS MRPS27, MRPS35, MRPS23 DPP4 4374/4885DPP7 4034/4885DPP8 4043/4885
US-20200131232-A1 CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT FROM S. AUREUS MRPS27, MRPS35, MRPS23 DPP4 4374/4885DPP7 4034/4885DPP8 4043/4885
US-20180009853-A1 CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT FROM S. AUREUS MRPS27, MRPS35, MRPS23 DPP4 4374/4885DPP7 4034/4885DPP8 4043/4885
US-10556934-B2 Crystal structure of the large ribosomal subunit from S. aureus MRPS27, MRPS35, MRPS23 DPP4 4374/4885DPP7 4034/4885DPP8 4043/4885
US-20070117859-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 DPP4 1952/4885DPP7 1919/4885DPP8 2056/4885

“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.