SCHEMBL2183665

SCHEMBL2183665

CCOC(=O)c1cn(C2CC2)c2cc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)c(F)cc2c1=O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.51
HSD17B10 Q99714 4/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
CYP1A2 P05177 1/20 0.47
TOP2A P11388 1/20 0.47
CYP2C9 P11712 1/20 0.47
TOP2B Q02880 1/20 0.47
ADRB2 P07550 1/20 0.43
PIK3CG P48736 4/20 0.42
PIK3CD O00329 3/20 0.42
PIK3R1 P27986 3/20 0.42
PIK3CA P42336 3/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL2183935 0.90 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL6217050 0.81 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL6214283 0.81 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9185035 0.80 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9184973 0.80 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9184967 0.80 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9185026 0.80 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9184976 0.80 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9638922 0.80 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL29576777 0.80 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10LMNA

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 KDM4E 2368/4885ALDH1A1 2627/4885HPGD 578/4885
US-20080045520-A1 Substituted Pyrrolidine Derivative QPCT, GMPS, QPCTL KDM4E 1998/4885ALDH1A1 2155/4885HPGD 268/4885

“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.