SCHEMBL4697252

SCHEMBL4697252

CON=C1CN(C(=O)OC(C)(C)C)C[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GPR119 Q8TDV5 4/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RECQL P46063 1/20 0.37
EPHX1 P07099 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL4697255 1.00 NR1H2 (0.39) NR1H2CHRM2CHRM1CHRM3HPGD
SCHEMBL4697250 1.00 NR1H2 (0.39) NR1H2CHRM2CHRM1CHRM3HPGD
SCHEMBL6203901 0.80 CHRM2 (0.41) CHRM2CHRM1CHRM3MAPT
SCHEMBL6203900 0.80 CHRM2 (0.41) CHRM2CHRM1CHRM3MAPT
SCHEMBL14493183 0.77 NAMPT (0.41) NR1H2ALDH1A1KDM4EMAPT
SCHEMBL5343772 0.77 NAMPT (0.41) NR1H2ALDH1A1KDM4EMAPT
SCHEMBL17081077 0.76 NR1H2 (0.44) NR1H2CHRM2CHRM1CHRM3HPGD
SCHEMBL136365 0.75 NR1H2 (0.43) NR1H2CHRM2CHRM1CHRM3HPGD
SCHEMBL22468373 0.75 NR1H2 (0.43) NR1H2CHRM2CHRM1CHRM3HPGD
SCHEMBL28296118 0.75 NR1H2 (0.43) NR1H2CHRM2CHRM1CHRM3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1889845-A1 NOVEL PLEUROMUTILIN DERIVATIVES SmithKline Beecham P.L.C. (GB) 2008-02-20 EP disclosed
EP-1538150-B1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2007-06-27 EP disclosed
US-7160907-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 US disclosed
EP-1538150-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2005-06-08 EP disclosed
EP-1351959-B1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP disclosed
US-6900345-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2005-05-31 US disclosed
US-20050096357-A1 Novel pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. 2005-05-05 US disclosed
US-20040024059-A1 Novel pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US disclosed
EP-1351959-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2003-10-15 EP disclosed
WO-2002030929-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 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-20040024059-A1 Novel pleuromutilin derivatives PLEC, MLNR, FABP2 NR1H2 3640/4885CHRM2 4500/4885CHRM1 4667/4885
US-20050096357-A1 Novel pleuromutilin derivatives FABP2, PLEC, MLNR NR1H2 3511/4885CHRM2 4594/4885CHRM1 4745/4885

“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.