SCHEMBL15080021

SCHEMBL15080021

O=C(N[C@H]1C[C@H](C(=O)NC2CCOCC2)C1)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.63
▸ GAA P10253 1/20 0.63
▸ TSHR P16473 1/20 0.60
▸ EPHX1 P07099 1/20 0.54
▸ CPB1 P15086 2/20 0.49
▸ CTSL P07711 1/20 0.49
▸ CTSB P07858 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ TLR4 O00206 1/20 0.48
▸ DPP4 P27487 2/20 0.47
▸ DPP7 Q9UHL4 2/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL6888432 0.91 ALDH1A1 (0.70) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL472602 0.84 ALDH1A1 (0.64) ALDH1A1GAATSHREPHX1CPB1
SCHEMBL22905145 0.84 ALDH1A1 (0.64) ALDH1A1GAATSHREPHX1CPB1
SCHEMBL21362723 0.84 ALDH1A1 (0.64) ALDH1A1GAATSHREPHX1CPB1
Hydrochloric Acid SCHEMBL27603388 0.83 ALDH1A1 (0.63) ALDH1A1GAATSHREPHX1CPB1
SCHEMBL1192342 0.81 ALDH1A1 (0.64) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL1192341 0.81 ALDH1A1 (0.64) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL381922 0.81 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1CPB1
SCHEMBL3948461 0.81 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1CPB1
SCHEMBL3948456 0.81 ALDH1A1 (0.85) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20140121196-A1 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TPD52L2 ALDH1A1 1173/4885GAA 4738/4885TSHR 3700/4885
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.

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