SCHEMBL2182255

SCHEMBL2182255

CC(C)[C@H]1CN([C@H](C)c2ccccc2)C(=O)[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
EPHX2 P34913 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CCR5 P51681 1/20 0.38
MAPK1 P28482 1/20 0.38
NAAA Q02083 1/20 0.37
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
CTSK P43235 3/20 0.37
SCN9A Q15858 2/20 0.36
CTSS P25774 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
SCHEMBL14441189 0.91 KMT2A (0.43) KMT2ANFKB1NFKB2RELAEPHX2
SCHEMBL4791304 0.85 KMT2A (0.43) KMT2ANFKB1NFKB2RELAEPHX2
SCHEMBL6948326 0.84 KMT2A (0.42) KMT2ANFKB1NFKB2RELAEPHX2
SCHEMBL6948325 0.84 KMT2A (0.42) KMT2ANFKB1NFKB2RELAEPHX2
SCHEMBL6948329 0.84 KMT2A (0.42) KMT2ANFKB1NFKB2RELAEPHX2
SCHEMBL12426672 0.78 KMT2A (0.45) KMT2AMAPK1
SCHEMBL12426674 0.78 KMT2A (0.45) KMT2AMAPK1
SCHEMBL2182258 0.78 NAAA (0.46) KMT2AL3MBTL1NAAACTSKSCN9A
SCHEMBL2183100 0.77 KDM1A (0.41) KMT2ANFKB1NFKB2RELAEPHX2
SCHEMBL14274003 0.77 KMT2A (0.44) KMT2ACCR5MAPK1

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
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-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
EP-1757598-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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 1856/4885NFKB1 1565/4885NFKB2 2548/4885
US-20080045520-A1 Substituted Pyrrolidine Derivative QPCT, GMPS, QPCTL KMT2A 2369/4885NFKB1 362/4885NFKB2 930/4885

“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.