Sugi Predict

Sugi Predict / Compounds / SCHEMBL2182132

SCHEMBL2182132

SCHEMBL2182132

CCC[C@H]1CNC[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GAA P10253 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ GFER P55789 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CTSK P43235 2/20 0.34

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
SCHEMBL8557982 0.91 KMT2A (0.37) ALDH1A1KMT2AGAAMAOAMAOB
SCHEMBL2184286 0.89 GAA (0.39) GAAMAOAMAOBEPHX1EPHX2
SCHEMBL8559648 0.89 GAA (0.39) GAAMAOAMAOBEPHX1EPHX2
SCHEMBL2182196 0.89 GAA (0.39) GAAMAOAMAOBEPHX1EPHX2
SCHEMBL8564507 0.89 GAA (0.39) GAAMAOAMAOBEPHX1EPHX2
SCHEMBL8559743 0.89 GAA (0.39) GAAMAOAMAOBEPHX1EPHX2
SCHEMBL8559748 0.89 GAA (0.39) GAAMAOAMAOBEPHX1EPHX2
SCHEMBL8558317 0.89 ALOX5 (0.37) ALDH1A1KMT2AGAAMAOAMAOB
SCHEMBL7809493 0.86 GAA (0.39) GAAMAOAMAOBEPHX1EPHX2
SCHEMBL21725322 0.86 GAA (0.39) GAAMAOAMAOBEPHX1EPHX2

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 8 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
US-5837868-A REACTION OF DIHYDROXY OLEFINS IN A MULTISTAGE PROCESS ARYL METHYLAMINE TO FORM PYRROLIDINE INTERMEDIATE ABBOTT LABORATORIES (US) 1998-11-17 — — US disclosed
WO-1998022437-A1 PROCESS FOR PREPARATION OF CHIRAL 3-AMINOPYRROLIDINE AND ANALOGOUS BICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 1998-05-28 — — WO disclosed
US-5703244-A CYCLIZATION OF DIHYDROXY OLEFINS WITH TARTRATE ESTER IN PRESENCE OF TITANIUM ISOPROPOXIDE AND TERT-BUTYL HYDROPEROXIDE ABBOTT LABORATORIES (US) 1997-12-30 — — US 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 ALDH1A1 2627/4885KMT2A 1856/4885GAA 490/4885
US-20080045520-A1 Substituted Pyrrolidine Derivative QPCT, GMPS, QPCTL ALDH1A1 2155/4885KMT2A 2369/4885GAA 604/4885

“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.