SCHEMBL6510132

SCHEMBL6510132

CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)OCc3ccccc3)cc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 2/20 0.52
BACE1 P56817 1/20 0.51
MAPT P10636 4/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
GRM5 P41594 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
P2RX7 Q99572 1/20 0.46
F13A1 P00488 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
SCHEMBL1498503 0.91 MAPT (0.53) NPY2RMAPTNPC1ALDH1A1TSHR
SCHEMBL2449157 0.89 BACE1 (0.50) BACE1KMT2AMEN1P2RX7NAMPT
SCHEMBL13532958 0.88 BACE1 (0.52) NPY2RBACE1LMNAKMT2AMEN1
SCHEMBL2090454 0.88 MEN1 (0.45) NPY2RBACE1MAPTNPC1GRM5
SCHEMBL6509573 0.88 GRM5 (0.53) NPY2RMAPTNPC1ALDH1A1TSHR
SCHEMBL8250825 0.87 L3MBTL1 (0.59) NPY2RMAPTNPC1ALDH1A1TSHR
SCHEMBL30063444 0.87 L3MBTL1 (0.59) NPY2RMAPTNPC1ALDH1A1TSHR
SCHEMBL10151446 0.87 MAPT (0.46) NPY2RBACE1MAPTNPC1GRM5
SCHEMBL27586529 0.86 NPY2R (0.46) NPY2RMAPTNPC1ALDH1A1TSHR
SCHEMBL7846281 0.86 F13A1 (0.53) NPY2RMAPTNPC1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101781293-B Antibacterial compound, preparation method and application thereof SHENYANG J & HEALTH PHARMACEUTICAL CO LTD 2012-07-18 CN disclosed
CN-101781293-A Antibacterial compound, preparation method and application thereof BENXI RUISHENG PHARMACEUTICAL 2010-07-21 CN disclosed
US-20070167414-A1 Novel antibacterial agents ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2007-07-19 US disclosed
US-20070167414-A1 Novel antibacterial agents ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2007-07-19 US disclosed
US-7217726-B2 Antibacterial agents ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2007-05-15 US disclosed
US-7217726-B2 Antibacterial agents ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2007-05-15 US disclosed
WO-2005051933-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF 4-(4-BENZYLOXY-CARBONYLAMINO-2-FLUOROPHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, A KEY INTERMEDIATE FOR OXAZOLIDINONE ANTIMICROBIALS AND COMPOUNDS PREPARED THEREBY RANBAXY LABORATORIES LIMITED (IN) 2005-06-09 WO disclosed
WO-2005051933-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF 4-(4-BENZYLOXY-CARBONYLAMINO-2-FLUOROPHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, A KEY INTERMEDIATE FOR OXAZOLIDINONE ANTIMICROBIALS AND COMPOUNDS PREPARED THEREBY RANBAXY LABORATORIES LIMITED (IN) 2005-06-09 WO disclosed
US-20040147545-A1 Derivatives of oxazolidinones as antibacterial agents LABORATORIOS VITA, S.A. (ES) 2004-07-29 US disclosed
EP-1401834-A1 NEW DERIVATIVES OF OXAZOLIDINONES AS ANTIBACTERIAL AGENTS LABORATORIOS VITA, S.A. (ES) 2004-03-31 EP disclosed
WO-2003002560-A1 NEW DERIVATIVES OF OXAZOLIDINONES AS ANTIBACTERIAL AGENTS LABORATORIOS VITA, S.A. (ES) 2003-01-09 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 (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-20070167414-A1 Novel antibacterial agents TBCD, OXA1L, ALPI NPY2R 3312/4885BACE1 2424/4885MAPT 48/4885
US-20040147545-A1 Derivatives of oxazolidinones as antibacterial agents OXA1L, Q6ZSR9, PGC NPY2R 3059/4885BACE1 4238/4885MAPT 3693/4885

“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.