SCHEMBL2182997

SCHEMBL2182997

CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)OCc2ccccc2)CC1C(C)(C)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.57
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTSK P43235 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
CTSL P07711 1/20 0.43
SYK P43405 1/20 0.43
USP30 Q70CQ3 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GRIN2B Q13224 2/20 0.41
PARP1 P09874 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
SCHEMBL12426644 1.00 PDE4B (0.57) PDE4BKMT2AL3MBTL1CTSKSMN1; SMN2
SCHEMBL7849655 0.90 PDE4B (0.56) PDE4BKMT2AL3MBTL1CTSKSMN1; SMN2
SCHEMBL7849653 0.90 PDE4B (0.56) PDE4BKMT2AL3MBTL1CTSKSMN1; SMN2
SCHEMBL7849654 0.90 PDE4B (0.56) PDE4BKMT2AL3MBTL1CTSKSMN1; SMN2
SCHEMBL24509184 0.89 PDE4B (0.59) PDE4BKMT2AL3MBTL1CTSKSMN1; SMN2
SCHEMBL15720211 0.89 PDE4B (0.59) PDE4BKMT2AL3MBTL1CTSKSMN1; SMN2
SCHEMBL9051439 0.89 PDE4B (0.59) PDE4BKMT2AL3MBTL1CTSKSMN1; SMN2
SCHEMBL9053027 0.89 PDE4B (0.59) PDE4BKMT2AL3MBTL1CTSKSMN1; SMN2
SCHEMBL3271625 0.88 PDE4B (0.58) PDE4BKMT2AL3MBTL1CTSKSMN1; SMN2
SCHEMBL13567842 0.88 PDE4B (0.58) PDE4BKMT2AL3MBTL1CTSKSMN1; 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 5 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-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-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 1718/4885KMT2A 1856/4885L3MBTL1 2601/4885
US-20080045520-A1 Substituted Pyrrolidine Derivative QPCT, GMPS, QPCTL PDE4B 976/4885KMT2A 2369/4885L3MBTL1 3444/4885

“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.