SCHEMBL13469202

SCHEMBL13469202

CN(C)C(=O)[C@H]1C[C@H](NC(=O)OCc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
GAA P10253 1/20 0.61
TSHR P16473 2/20 0.59
CYP3A4 P08684 2/20 0.56
EPHX1 P07099 1/20 0.52
CPB1 P15086 2/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
TLR4 O00206 1/20 0.49
HSD11B1 P28845 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
ACHE P22303 2/20 0.48

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
SCHEMBL24226849 0.94 ALDH1A1 (0.55) ALDH1A1GAATSHRCYP3A4EPHX1
SCHEMBL24226839 0.94 ALDH1A1 (0.55) ALDH1A1GAATSHRCYP3A4EPHX1
SCHEMBL24226881 0.93 TSHR (0.55) ALDH1A1GAATSHRCYP3A4EPHX1
SCHEMBL3374795 0.90 ALDH1A1 (0.74) ALDH1A1GAATSHRCYP3A4EPHX1
SCHEMBL3374799 0.90 ALDH1A1 (0.74) ALDH1A1GAATSHRCYP3A4EPHX1
SCHEMBL29512068 0.88 ALDH1A1 (0.49) ALDH1A1GAATSHRCYP3A4EPHX1
SCHEMBL24920282 0.87 ALDH1A1 (0.48) ALDH1A1GAATSHRCYP3A4EPHX1
SCHEMBL29512205 0.87 ALDH1A1 (0.48) ALDH1A1GAATSHRCYP3A4EPHX1
SCHEMBL13275491 0.84 ALDH1A1 (0.78) ALDH1A1GAATSHREPHX1CPB1
SCHEMBL17791355 0.84 ALDH1A1 (0.78) ALDH1A1GAATSHREPHX1CPB1

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-12545685-B2 Dispiropyrrolidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2026-02-10 US disclosed
US-20240246989-A1 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2024-07-25 US disclosed
US-20220106324-A1 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-04-07 US disclosed
US-20220106324-A1 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-04-07 US disclosed
EP-2684880-B1 DISPIROPYRROLIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2018-02-28 EP disclosed
US-20140121196-A1 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-01 US disclosed
EP-2684880-A1 DISPIROPYRROLIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-15 EP disclosed
US-8629133-B2 Dispiropyrrolidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-14 US disclosed
US-20130165424-A9 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-27 US disclosed
US-20120264738-A1 DISPIROPYRROLIDINE DERIVATIVES SUGIMOTO YUUICHI (JP) 2012-10-18 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 (6 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-20120264738-A1 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TP53BP1 ALDH1A1 1254/4885GAA 4748/4885TSHR 3559/4885
US-12545685-B2 Dispiropyrrolidine derivatives TP53, MDM2, TP53BP1 ALDH1A1 2383/4885GAA 4532/4885TSHR 1670/4885
US-20140121196-A1 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TPD52L2 ALDH1A1 1173/4885GAA 4738/4885TSHR 3700/4885
US-20240246989-A1 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TP53BP1 ALDH1A1 1254/4885GAA 4748/4885TSHR 3559/4885
US-20130165424-A9 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TP53BP1 ALDH1A1 1254/4885GAA 4748/4885TSHR 3559/4885
US-20220106324-A1 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TP53BP1 ALDH1A1 1254/4885GAA 4748/4885TSHR 3559/4885

“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.