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SCHEMBL380892

SCHEMBL380892

NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.51
▸ HCRTR1 O43613 1/20 0.50
▸ HCRTR2 O43614 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ PABPC1 P11940 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ DPP4 P27487 1/20 0.46
▸ DPP8 Q6V1X1 1/20 0.46
▸ DPP7 Q9UHL4 1/20 0.46
▸ CFD P00746 1/20 0.46

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
SCHEMBL10589601 1.00 HTT (0.52) HTTNPSR1HCRTR1HCRTR2CYP1A2
SCHEMBL12565330 0.84 ALDH1A1 (0.54) HTTNPSR1HCRTR1HCRTR2ALDH1A1
SCHEMBL8010333 0.84 MMP3 (0.47) HTT
SCHEMBL9489896 0.83 PREP (0.56) NPSR1HCRTR1HCRTR2ALDH1A1CYP2C9
SCHEMBL29941285 0.82 CYP2C9 (0.47) HTTNPSR1HCRTR1HCRTR2CYP1A2
SCHEMBL5575952 0.82 PREP (0.52) POLBDPP4DPP8DPP7
SCHEMBL10589596 0.82 PREP (0.52) POLBDPP4DPP8DPP7
SCHEMBL25122224 0.81 CYP2C9 (0.47) HTTNPSR1HCRTR1HCRTR2CYP1A2
SCHEMBL25122378 0.81 CYP2C9 (0.47) HTTNPSR1HCRTR1HCRTR2CYP1A2
SCHEMBL23007438 0.81 CYP2C9 (0.47) HTTNPSR1HCRTR1HCRTR2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210196842-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-01 — — US disclosed
EP-3227318-A1 DPP4 IMMUNOADHESIN COMPOSITIONS AND METHODS PLANET BIOTECHNOLOGY, INC. (US) 2017-10-11 — — EP disclosed
WO-2017095806-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-08 — — WO disclosed
CN-106556704-A Liver function glycylproline dipeptidyl aminopeptidase determines kit and preparation method 安徽同致生物工程股份有限公司 2017-04-05 — — CN disclosed
CN-105861632-A Kit for determining glycylproline dipeptide aminopeptidase 安徽伊普诺康生物技术股份有限公司 2016-08-17 — — CN disclosed
WO-2016090345-A1 DPP4 IMMUNOADHESIN COMPOSITIONS AND METHODS PLANET BIOTECHNOLOGY INC. (US) 2016-06-09 — — WO disclosed
CN-105510572-A Detection kit for glycylproline dipeptidyl aminopeptidase BIOBASE BIODUSTRY (SHANDONG) CO LTD 2016-04-20 — — CN disclosed
US-9284541-B2 Methods and compositions for protein labeling using lipoic acid ligases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-03-15 — — US disclosed
US-20150125904-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-05-07 — — US disclosed
US-8871456-B2 Probe incorporation mediated by enzymes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-10-28 — — US disclosed
WO-2007041689-A2 METHODS OF SITE-SPECIFIC LABELING OF MOLECULES AND MOLECULES PRODUCED THEREBY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-04-12 — — WO disclosed
US-7172877-B2 Methods and compositions for peptide and protein labeling MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-02-06 — — US disclosed
US-20070015269-A1 Crystals of DPP-IV HOFFMANN-LA ROCHE INC. 2007-01-18 — — US disclosed
US-20050233389-A1 Methods and compositions for peptide and protein labeling MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-10-20 — — US disclosed
US-20040209317-A1 Methods and compositions for peptide and protein labeling MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-10-21 — — US disclosed
EP-1422293-A1 Crystal structure of dipeptidyl peptidase IV F. HOFFMANN-LA ROCHE AG (CH) 2004-05-26 — — EP disclosed
EP-0255341-B1 REAGENT FOR TESTING PERIODONTAL DISEASES SUNSTAR KABUSHIKI KAISHA (JP) 1993-02-03 — — EP disclosed
US-5137811-A Method for diagnosing periodontal diseases with a substrate specific for aminopeptidase activity of periodontopathic bacteria SUNSTAR KABUSHIKI KAISHA (JP) 1992-08-11 — — US disclosed
EP-0330374-A2 Method for the colorimetric determination of DPP-IV using cinnamaldehyde PROTOTEK, INC., (US) 1989-08-30 — — EP disclosed
EP-0255341-A2 Reagent for testing periodontal diseases SUNSTAR KABUSHIKI KAISHA (JP) 1988-02-03 — — EP 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 (2 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-20050233389-A1 Methods and compositions for peptide and protein labeling HLCS, BTD, QPCTL HTT 1661/4885NPSR1 2241/4885HCRTR1 3836/4885
US-20210196842-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE DLAT, FABP7, ACSL1 HTT 2816/4885NPSR1 3699/4885HCRTR1 4472/4885

“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.