SCHEMBL5727368

SCHEMBL5727368

CCOC(=O)C1=C(NCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.49
ACHE P22303 1/20 0.47
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ADORA1 P30542 2/20 0.45
ADORA3 P0DMS8 1/20 0.44
PDE4D Q08499 1/20 0.44
CCR8 P51685 1/20 0.42
MEN1 O00255 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
STS P08842 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1586711 0.92 CASP3 (0.49) CASP3ACHEKMT2ANPSR1RXFP1
SCHEMBL20765935 0.92 KMT2A (0.46) CASP3ACHEKMT2ANPSR1ADORA1
SCHEMBL6304400 0.91 ACHE (0.49) CASP3ACHEGPR119MAPK1STS
SCHEMBL17629577 0.88 MAPT (0.42) CASP3KMT2ANPSR1ADORA1ADORA3
SCHEMBL1219803 0.82 ADORA1 (0.43) KMT2AADORA1MEN1GPR119
SCHEMBL21047249 0.82 ADORA1 (0.43) KMT2AADORA1MEN1GPR119
SCHEMBL435995 0.82 ADORA1 (0.43) CASP3KMT2AADORA1ADORA3PDE4D
SCHEMBL1219800 0.82 ADORA1 (0.43) KMT2AADORA1MEN1GPR119
SCHEMBL13488441 0.82 CXCR3 (0.43) KMT2ANPSR1ADORA1MEN1SMN1; SMN2
SCHEMBL13488374 0.81 ALDH1A1 (0.49) KMT2ANPSR1ADORA1MEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3833672-A1 TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS Ospedale San Raffaele S.r.l. (IT) 2021-06-16 EP disclosed
WO-2021018238-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-02-04 WO disclosed
WO-2020030781-A1 TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-02-13 WO disclosed
WO-2020030781-A1 TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-02-13 WO disclosed
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
EP-1719770-A2 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
EP-1320529-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-05-24 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
US-6989447-B2 Compounds SMITHKLINE BEECHAM P.L.C. (GB) 2006-01-24 US disclosed
EP-1121355-B1 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2005-12-14 EP disclosed
EP-1202987-B1 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-11-26 EP disclosed
US-6602882-B1 Quinoline derivatives and their use as antibacterial agents SMITHKLINE BEECHAM P.L.C. (GB) 2003-08-05 US disclosed
EP-1320529-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-25 EP disclosed
EP-1202987-A2 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2002-05-08 EP disclosed
WO-2002024684-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-28 WO disclosed
EP-1144404-A1 PIPERIDINYLQUINOLINES AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2001-10-17 EP disclosed
EP-1121355-A1 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2001-08-08 EP disclosed
WO-2001007433-A2 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-02-01 WO disclosed
WO-2000043383-A1 PIPERIDINYLQUINOLINES AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2000-07-27 WO disclosed
WO-2000021952-A1 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2000-04-20 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG CASP3 335/4885ACHE 2793/4885KMT2A 4446/4885

“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.