SCHEMBL704313

SCHEMBL704313

O=C(Oc1nnn[nH]1)[C@@H]1CCCN1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.33
SCN4A P35499 2/20 0.33
NOS2 P35228 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
DPP4 P27487 4/20 0.32
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
FAP Q12884 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
PRCP P42785 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL702560 0.73 ELANE (0.36) ELANESCN4ANOS2NOS3NOS1
SCHEMBL17394816 0.72 ELANE (0.35) ELANESCN4ANOS2NOS3NOS1
Proline SCHEMBL28261914 0.72 GRIN2D (0.35) ELANEDPP4DPP8DPP9PARP1
SCHEMBL995604 0.68 NOS2 (0.46) ELANESCN4ANOS2NOS3NOS1
SCHEMBL6859669 0.68 NOS2 (0.46) ELANESCN4ANOS2NOS3NOS1
SCHEMBL146828 0.68 NOS2 (0.46) ELANESCN4ANOS2NOS3NOS1
SCHEMBL6790443 0.68 HTR2C (0.38) ELANESCN4ANOS2NOS3NOS1
SCHEMBL6802754 0.68 HTR2C (0.38) ELANESCN4ANOS2NOS3NOS1
SCHEMBL8305414 0.68 HTR2C (0.38) ELANESCN4ANOS2NOS3NOS1
SCHEMBL464808 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11897917-B2 Bioconjugation of polypeptides THE UNIVERSITY OF YORK (GB) 2024-02-13 US disclosed
US-20230121469-A1 CATALYST FOR MANUFACTURING AMIDE COMPOUND, AND METHOD FOR MANUFACTURING AMIDE COMPOUND CHUBU UNIVERSITY EDUCATIONAL FOUNDATION (JP) 2023-04-20 US disclosed
WO-2021149814-A1 CATALYST FOR MANUFACTURING AMIDE COMPOUND, AND METHOD FOR MANUFACTURING AMIDE COMPOUND 学校法人中部大学 2021-07-29 WO disclosed
US-20200317723-A1 Bioconjugation of Polypeptides THE UNIVERSITY OF YORK (GB) 2020-10-08 US disclosed
EP-3688007-A1 BIOCONJUGATION OF POLYPEPTIDES The University of York (GB) 2020-08-05 EP disclosed
WO-2019063958-A1 BIOCONJUGATION OF POLYPEPTIDES THE UNIVERSITY OF YORK (GB) 2019-04-04 WO disclosed
US-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS MIAO ZHENWEI 2009-12-10 US disclosed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
WO-2008043798-A1 A PROCESS FOR THE PREPARATION OF β-AMINO ALDEHYDES AND DERIVATIVES THEREOF. ORGANOCLICK AB (SE) 2008-04-17 WO disclosed
EP-1590442-A4 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2007-07-18 EP disclosed
EP-1590442-A3 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-03 EP disclosed
EP-1590442-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-02 EP disclosed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 US disclosed
WO-2004072243-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-08-26 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 (5 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-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 ELANE 123/4885SCN4A 660/4885NOS2 1891/4885
US-11897917-B2 Bioconjugation of polypeptides PTMS, EPCAM, IAPP ELANE 289/4885SCN4A 4771/4885NOS2 3390/4885
US-20230121469-A1 CATALYST FOR MANUFACTURING AMIDE COMPOUND, AND METHOD FOR MANUFACTURING AMIDE COMPOUND NAAA, ASNS, BCAT2 ELANE 823/4885SCN4A 2356/4885NOS2 578/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 ELANE 137/4885SCN4A 706/4885NOS2 2055/4885
US-20200317723-A1 Bioconjugation of Polypeptides PTMS, EPCAM, IAPP ELANE 289/4885SCN4A 4771/4885NOS2 3390/4885

“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.