SCHEMBL3718753

SCHEMBL3718753

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.34
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
CYP2C19 P33261 2/20 0.32
SLC7A5 Q01650 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ANPEP P15144 3/20 0.31
LAP3 P28838 2/20 0.31
ERAP1 Q9NZ08 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL1924954 0.82 CYP1A2 (0.36) TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL19406690 0.80
SCHEMBL25098364 0.80 CA1 (0.31)
SCHEMBL4659753 0.79 MMP8 (0.34) MMP8GRM2GRM3CYP2C19SLC7A5
SCHEMBL18112355 0.78 MMP8 (0.36) MMP8GRM2GRM3CYP2C19ALDH1A1
SCHEMBL1262966 0.77 GRM2 (0.36) MMP8GRM2GRM3CYP2C19SLC7A5
SCHEMBL17037419 0.77 AR (0.33) MMP8GRM2GRM3CYP2C19SLC7A5
SCHEMBL13126734 0.77 CA1 (0.37) SLC7A5ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL8633404 0.77 AR (0.33) MMP8GRM2GRM3CYP2C19SLC7A5
SCHEMBL20049737 0.77 GRM2 (0.36) MMP8GRM2GRM3CYP2C19SLC7A5

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
EP-0821675-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-02-04 EP claimed
WO-1996033176-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-24 WO claimed
EP-4665157-A1 THERMORESPONSIVE GEL COMPOSITION AND USES THEREOF Firmenich SA (CH) 2025-12-24 EP disclosed
WO-2024170640-A1 THERMORESPONSIVE GEL COMPOSITION AND USES THEREOF FIRMENICH SA (CH) 2024-08-22 WO disclosed
WO-2024146920-A1 DRUG CONJUGATES FOR THE TREATMENT OF OCULAR DISORDERS ASCENDIS PHARMA OPHTHALMOLOGY DIVISION A/S (DK) 2024-07-11 WO disclosed
WO-2023209143-A1 PROCESS FOR MAKING A TASTE-MODIFYING COMPOUND FIRMENICH SA (CH) 2023-11-02 WO disclosed
US-20230295457-A1 SURFACE TREATMENT LIQUID AND SURFACE TREATMENT METHOD TOKYO OHKA KOGYO CO., LTD. (JP) 2023-09-21 US disclosed
EP-3862362-A2 CONJUGATES OF MODIFIED ANTISENSE OLIGONUCLEOTIDES AND THEIR USE FOR MODULATING PKK EXPRESSION Ionis Pharmaceuticals, Inc. (US) 2021-08-11 EP disclosed
US-20210214315-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-07-15 US disclosed
WO-2007112505-A1 GLYCERIDE ESTER DERIVATIVES OF HERBICIDAL COMPOUNDS AND COMPOSITIONS THEREOF NUFARM AUSTRALIA LIMITED (AU) 2007-10-11 WO disclosed
EP-0370644-B1 Herbicidal compounds ZENECA LTD (GB) 1995-06-07 EP disclosed
US-5182402-A 2-Phenylthiazolecarboxylic Acids and Esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-01-26 US disclosed
US-5120869-A HERBICIDAL COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-06-09 US disclosed
US-5084083-A Phenylthiazolecarboxylic acid derivative herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-28 US disclosed
EP-0370644-A2 Herbicidal compounds ZENECA LIMITED (GB) 1990-05-30 EP disclosed
EP-0368592-A1 Herbicidal compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-16 EP disclosed
EP-0355049-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1990-02-21 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 (1 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-20210214315-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 MMP8 572/4885GRM2 251/4885GRM3 100/4885

“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.