SCHEMBL2183565

SCHEMBL2183565

C=C[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.55
F13A1 P00488 2/20 0.43
TGM2 P21980 2/20 0.43
TGM1 P22735 2/20 0.43
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CTSL P07711 1/20 0.41
SYK P43405 1/20 0.41
USP30 Q70CQ3 1/20 0.40
CTSK P43235 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PARP1 P09874 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39

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
SCHEMBL2180969 1.00 PDE4B (0.55) PDE4BF13A1TGM2TGM1KMT2A
SCHEMBL12426648 1.00 PDE4B (0.55) PDE4BF13A1TGM2TGM1KMT2A
SCHEMBL2182558 0.91 PDE4B (0.56) PDE4BF13A1TGM2TGM1KMT2A
SCHEMBL2184862 0.91 PDE4B (0.56) PDE4BF13A1TGM2TGM1KMT2A
SCHEMBL12426650 0.91 PDE4B (0.56) PDE4BF13A1TGM2TGM1KMT2A
SCHEMBL1360488 0.86 PDE4B (0.52) PDE4BF13A1TGM2TGM1KMT2A
SCHEMBL744418 0.86 PDE4B (0.52) PDE4BF13A1TGM2TGM1KMT2A
SCHEMBL24509184 0.86 PDE4B (0.59) PDE4BKMT2AL3MBTL1HTTSMN1; SMN2
SCHEMBL9051439 0.86 PDE4B (0.59) PDE4BKMT2AL3MBTL1HTTSMN1; SMN2
SCHEMBL9053027 0.86 PDE4B (0.59) PDE4BKMT2AL3MBTL1HTTSMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455482-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-04 US disclosed
US-8455482-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-04 US disclosed
US-7977327-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-12 US disclosed
US-7977327-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-12 US disclosed
US-7977327-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-12 US disclosed
US-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-07-07 US disclosed
US-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-07-07 US disclosed
US-20080045520-A1 Substituted Pyrrolidine Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-02-21 US disclosed
US-20080045520-A1 Substituted Pyrrolidine Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-02-21 US disclosed
US-20080045520-A1 Substituted Pyrrolidine Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-02-21 US disclosed
EP-1757598-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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 (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-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE AQP1, GLUL, GATD3 PDE4B 1718/4885F13A1 4584/4885TGM2 258/4885
US-20080045520-A1 Substituted Pyrrolidine Derivative QPCT, GMPS, QPCTL PDE4B 976/4885F13A1 4685/4885TGM2 941/4885

“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.