Sugi Predict

Sugi Predict / Compounds / SCHEMBL6151365

SCHEMBL6151365

SCHEMBL6151365

CC(C)CC(=O)NCC(N)=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HPGD P15428 3/20 0.42
▸ PREP P48147 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CA2 P00918 1/20 0.36
▸ MMP1 P03956 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 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
SCHEMBL19545559 0.84 ALDH1A1 (0.42) PSMB5SMN1; SMN2TP53HPGDALDH1A1
SCHEMBL12582857 0.81 CA1 (0.41) PSMB5ALDH1A1CA2MMP1
SCHEMBL622444 0.79 ALDH1A1 (0.50) PSMB5SMN1; SMN2TP53HPGDPREP
SCHEMBL12661033 0.79 ALDH1A1 (0.52) PSMB5SMN1; SMN2TP53HPGDPREP
SCHEMBL15003955 0.78 ALDH1A1 (0.50) PSMB5HPGDALDH1A1
SCHEMBL26733437 0.78 SMN1; SMN2 (0.49) PSMB5SMN1; SMN2TP53HPGDALDH1A1
SCHEMBL606079 0.78 — —
SCHEMBL23817738 0.78 PSMB5 (0.54) PSMB5SMN1; SMN2TP53HPGDPREP
SCHEMBL14261374 0.78 MAOA (0.35) PSMB5SMN1; SMN2TP53MMP1
SCHEMBL23764912 0.78 — —

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178299-A1 PRODRUGS OF GANAXOLONE MARINUS PHARMACEUTICALS, INC. (US) 2023-09-21 — — WO disclosed
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 — — US disclosed
US-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-06-17 — — US disclosed
US-20200399280-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2020-12-24 — — US disclosed
US-10807989-B2 3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives Grünenthal GmbH (DE) 2020-10-20 — — US disclosed
US-20190106430-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2019-04-11 — — US disclosed
US-9951038-B2 Quinazolin-4(3H)-one-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2018-04-24 — — US disclosed
US-20170197971-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 — — US disclosed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 — — WO disclosed
US-7265155-B2 Treating a variety of pathological conditions, including spasticity and convulsions, by effecting a modulation of CNS activity with isovaleramide, isovaleric acid, or a related compound NBS PHARMACEUTICALS, INC. (US) 2007-09-04 — — US disclosed
EP-1576962-A1 Composition comprising isovaleramide and ibuprofen NPS PHARMACEUTICALS, INC. (US) 2005-09-21 — — EP disclosed
EP-1059930-B1 COMPOSITIONS COMPRISING ISOVALERAMIDE AND IBUPROFEN NPS PHARMA INC (US) 2005-05-11 — — EP disclosed
US-6383527-B1 FOR TREATMENT OF ACUTE MUSCULAR ACHES, STRAINS, AND SPRAINS WHICH OCCUR FROM A LOCALIZED, EXTERNAL INSULT TO A PARTICULAR MUSCLE OR MUSCLE GROUP NPS PHARMACEUTICALS, INC. 2002-05-07 — — US disclosed
EP-1059930-A1 COMPOSITIONS COMPRISING VALERIAN EXTRACTS, ISOVALERIC ACID OR DERIVATIVES THEREOF WITH A NSAID NPS PHARMACEUTICALS, INC. (US) 2000-12-20 — — EP disclosed
WO-1999044623-A1 COMPOSITIONS COMPRISING VALERIAN EXTRACTS, ISOVALERIC ACID OR DERIVATIVES THEREOF WITH A NSAID NPS PHARMACEUTICALS, INC. (US) 1999-09-10 — — WO 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-20190106430-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, PKD2 PSMB5 4599/4885SMN1; SMN2 490/4885TP53 4274/4885
US-20200399280-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 PSMB5 4599/4885SMN1; SMN2 490/4885TP53 4274/4885
US-20170197971-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 PSMB5 4599/4885SMN1; SMN2 490/4885TP53 4274/4885
US-10807989-B2 3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, PKD2 PSMB5 4599/4885SMN1; SMN2 490/4885TP53 4274/4885
US-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 PSMB5 4599/4885SMN1; SMN2 490/4885TP53 4274/4885
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 PSMB5 4599/4885SMN1; SMN2 490/4885TP53 4274/4885

“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.