SCHEMBL2183100

SCHEMBL2183100

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.41
EPHX2 P34913 1/20 0.40
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCR5 P51681 1/20 0.39
CTSK P43235 3/20 0.38
CTSS P25774 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL5627058 0.91 KDM1A (0.39) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL5627069 0.91 KDM1A (0.39) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL5627065 0.91 KDM1A (0.39) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL14441187 0.91 KDM1A (0.39) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL5627055 0.91 KDM1A (0.39) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL6947436 0.83 KMT2A (0.40) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL6947439 0.83 KMT2A (0.40) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL6947437 0.83 KMT2A (0.40) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL2179372 0.80 DRD4 (0.42) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL2179376 0.80 DRD4 (0.42) KDM1AMAOBEPHX2KMT2AL3MBTL1

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 KDM1A 1504/4885MAOB 4000/4885EPHX2 4369/4885
US-20080045520-A1 Substituted Pyrrolidine Derivative QPCT, GMPS, QPCTL KDM1A 1547/4885MAOB 3703/4885EPHX2 4258/4885

“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.