SCHEMBL16773752

SCHEMBL16773752

CCC(CN(C)C)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.50
CA1 P00915 3/20 0.50
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 4/20 0.36
RAB9A P51151 2/20 0.36
ATM Q13315 2/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
LMNA P02545 1/20 0.34
PAX8 Q06710 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL19072081 0.82 CA2 (0.47) CA2CA1TSHRHTTRAB9A
SCHEMBL18737 0.79
SCHEMBL28817952 0.79 CA1 (0.35) CA2CA1USP2TSHRHTT
SCHEMBL5892318 0.78 MAPK1 (0.48) CA2USP2TSHRHTTRAB9A
SCHEMBL18934271 0.78 TSHR (0.46) CA2CA1USP2TSHRHTT
SCHEMBL8975857 0.77 HTT (0.38) CA2CA1HTTRAB9AATM
SCHEMBL5134800 0.77 CA2 (0.57) CA2CA1USP2TSHRMAPK1
Hydrochloric Acid SCHEMBL530588 0.76
SCHEMBL3178200 0.76
SCHEMBL8669520 0.76 CA2 (0.50) CA2CA1USP2TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20230151034-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-18 US disclosed
US-20170183346-A1 SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11bR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11b-HEXAHYDRO-1H-PYRIDO[2,1-a]ISOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) AGNO PHARMA USA 2017-06-29 US disclosed
US-9295728-B2 Co-polymer conjugates NITTO DENKO CORPORATION (JP) 2016-03-29 US disclosed
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-06-04 US disclosed
WO-2015077520-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2015-05-28 WO disclosed
WO-2015077521-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 AUSPEX PHARMACEUTICALS, INC. (US) 2015-05-28 WO disclosed
US-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20130272993-A1 CO-POLYMER CONJUGATES NITTO DENKO CORPORATION (JP) 2013-10-17 US disclosed
WO-2011153157-A2 BENZOQUINOLONE INHIBITORS OF VMAT2 AUSPEX PHARMACEUTICAL, INC. (US) 2011-12-08 WO disclosed
WO-2011108744-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND RESIST FILM AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2011-09-09 WO disclosed
US-20100168175-A1 ATPENINS BAYER CROPSCIENCE AG (DE) 2010-07-01 US disclosed
US-20100168175-A1 ATPENINS BAYER CROPSCIENCE AG (DE) 2010-07-01 US disclosed
WO-2010069495-A1 ATPENINS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-06-24 WO disclosed
EP-1914070-A1 Image recording material and lithographic printing plate precursor FUJIFILM Corporation (JP) 2008-04-23 EP disclosed
WO-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
EP-1818340-A1 GLYCOPEPTIDE ANTIBIOTIC MONOMER DERIVATIVES National University Corporation Nagoya University (JP) 2007-08-15 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 (7 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-20230151034-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION ASNS, GLUL, GNMT CA2 3321/4885CA1 1784/4885USP2 1389/4885
US-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS CYP21A2, CYP17A1, CYP46A1 CA2 1831/4885CA1 2586/4885USP2 416/4885
US-20170183346-A1 SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11bR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11b-HEXAHYDRO-1H-PYRIDO[2,1-a]ISOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) CYP2S1, CYP26B1, CYP4B1 CA2 3614/4885CA1 3516/4885USP2 1491/4885
US-20130272993-A1 CO-POLYMER CONJUGATES CD44, SLC3A2, SLC7A1 CA2 2462/4885CA1 785/4885USP2 1556/4885
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 CA2 4793/4885CA1 4779/4885USP2 2459/4885
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 CA2 4581/4885CA1 4879/4885USP2 1860/4885
US-20100168175-A1 ATPENINS ATP5ME, ATP5MK, ATP5F1B CA2 4023/4885CA1 4878/4885USP2 2165/4885

“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.