SCHEMBL2185018

SCHEMBL2185018

CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)OCc2ccccc2)C1CO

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PDE4B Q07343 1/20 0.48
CTSL P07711 1/20 0.44
DRD2 P14416 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42

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
SCHEMBL28950438 0.94 L3MBTL1 (0.49) KMT2AL3MBTL1PDE4BCTSL
SCHEMBL23971172 0.94 L3MBTL1 (0.49) KMT2AL3MBTL1PDE4BCTSL
SCHEMBL34466985 0.94 L3MBTL1 (0.49) KMT2AL3MBTL1PDE4BCTSL
SCHEMBL25907337 0.92 ALDH1A1 (0.47) KMT2AL3MBTL1PDE4BCTSLNPC1
SCHEMBL6619512 0.90 PDE4B (0.44) KMT2AL3MBTL1PDE4BCTSLDRD2
SCHEMBL6623570 0.90 PDE4B (0.47) KMT2AL3MBTL1PDE4BCTSLNPC1
SCHEMBL6623558 0.90 PDE4B (0.47) KMT2AL3MBTL1PDE4BCTSLNPC1
SCHEMBL6623564 0.90 PDE4B (0.47) KMT2AL3MBTL1PDE4BCTSLNPC1
SCHEMBL141501 0.89 ALDH1A1 (0.53) CTSLNPC1RAB9ASMN1; SMN2
SCHEMBL7366503 0.88 PDE4B (0.44) KMT2AL3MBTL1PDE4BCTSLHTT

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 KMT2A 1856/4885L3MBTL1 2601/4885PDE4B 1718/4885
US-20080045520-A1 Substituted Pyrrolidine Derivative QPCT, GMPS, QPCTL KMT2A 2369/4885L3MBTL1 3444/4885PDE4B 976/4885

“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.