SCHEMBL604855

SCHEMBL604855

CC(C)(C)OC(=O)C(N)CCCNC(=N)N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NPY4R P50391 5/20 0.38
NPY1R P25929 3/20 0.38
DPP7 Q9UHL4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LTA4H P09960 1/20 0.36
NPY2R P49146 2/20 0.35
NPY5R Q15761 2/20 0.35
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
OTC P00480 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
SCHEMBL604856 1.00 MEN1 (0.45) MEN1GAAKMT2AMAOAMAOB
SCHEMBL8975661 1.00 MEN1 (0.45) MEN1GAAKMT2AMAOAMAOB
Hydrochloric Acid SCHEMBL27482850 0.98 MEN1 (0.44) MEN1GAAKMT2AMAOAMAOB
Hydrochloric Acid SCHEMBL8376792 0.98 MEN1 (0.44) MEN1GAAKMT2AMAOAMAOB
Hydrochloric Acid SCHEMBL29398231 0.98 MEN1 (0.44) MEN1GAAKMT2AMAOAMAOB
SCHEMBL5847744 0.89 MEN1 (0.41) MEN1GAAKMT2AMAOAMAOB
SCHEMBL20468063 0.88 MEN1 (0.37) MEN1GAAKMT2AMAOAMAOB
SCHEMBL14414714 0.88 MEN1 (0.45) MEN1GAAKMT2AMAOAMAOB
SCHEMBL14090836 0.88 MEN1 (0.45) MEN1GAAKMT2AMAOAMAOB
SCHEMBL30860176 0.88 MEN1 (0.47) MEN1GAAKMT2AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120051554-A Lipid removal in detergents 诺维信公司 2025-05-27 CN disclosed
US-8785488-B2 Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity EXELIXIS PATENT COMPANY LLC (US) 2014-07-22 US disclosed
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS PATENT COMPANY LLC (US) 2012-02-16 US disclosed
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-10-27 US disclosed
US-20100323990-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-12-23 US disclosed
US-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors JEAN FRANCOIS 2010-07-01 US disclosed
EP-1135398-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION Monsanto Technology LLC (US) 2001-09-26 EP disclosed
US-6218563-B1 Cyanophosphonamides and method for preparation MONSANTO COMPANY 2001-04-17 US disclosed
WO-2000032611-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION MONSANTO TECHNOLOGY LLC (US) 2000-06-08 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 (4 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-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors SRR, HAVCR2, CBR3 MEN1 4766/4885GAA 2230/4885KMT2A 3192/4885
US-20100323990-A1 SHIP 1 MODULATOR PRODRUGS PPM1D, PPM1G, PPM1F MEN1 846/4885GAA 3237/4885KMT2A 1708/4885
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS PPM1F, PPM1D, PPP1R1B MEN1 983/4885GAA 3335/4885KMT2A 2048/4885
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY GPR119, GLP1R, GCGR MEN1 4058/4885GAA 1941/4885KMT2A 3949/4885

“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.