SCHEMBL4598829

SCHEMBL4598829

Cn1ncc2c1CN(C(=O)OC(C)(C)C)[C@@H]2C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM2 Q14416 1/20 0.32
HSD11B1 P28845 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
NR1H2 P55055 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
SPR P35270 1/20 0.32
UCHL1 P09936 1/20 0.31

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
SCHEMBL5108774 1.00 ELANE (0.36) ELANEHSD17B10MEN1KMT2AGRM2
SCHEMBL30591259 0.90 ELANE (0.36) ELANEMEN1KMT2AGRM2HSD11B1
SCHEMBL30591210 0.90 ELANE (0.36) ELANEMEN1KMT2AGRM2HSD11B1
SCHEMBL25432290 0.88 PTPN1 (0.38) ELANEMEN1KMT2AGRM2NR1H2
SCHEMBL27379993 0.88 PTPN1 (0.38) ELANEMEN1KMT2AGRM2NR1H2
SCHEMBL24894252 0.84 KMT2A (0.37) ELANEMEN1KMT2AGRM2TP53
SCHEMBL24069357 0.84 ELANE (0.38) ELANEMEN1KMT2AGRM2HSD11B1
SCHEMBL7163168 0.84 PIK3CD (0.36) ELANEHSD17B10MEN1KMT2AGPR119
SCHEMBL7163165 0.84 PIK3CD (0.36) ELANEHSD17B10MEN1KMT2AGPR119
SCHEMBL16083040 0.77 HSD17B10 (0.34) ELANEHSD17B10MEN1KMT2ATP53

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-20240317748-A1 CARBONYL SUBSTITUTED DIAZASPIRO COMPOUNDS AND ITS USE BIONOVA PHARMACEUTICALS LTD. (KY) 2024-09-26 US disclosed
WO-2023241322-A1 HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2023-12-21 WO disclosed
EP-4271676-A1 CARBONYL SUBSTITUTED DIAZASPIRO COMPOUNDS AND ITS USE Bionova Pharmaceuticals (Shanghai) Limited (CN) 2023-11-08 EP disclosed
US-7417144-B2 e.g. 1-Methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,5-dicarboxylic acid 5-[(4-chloro-phenyl)-amide]4-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-amide}; anticoagulant, antiinflammatory agent; thrombosis, peripheral arterial occlusive disease, stroke, arteriosclerosis, bypass grafting HOFFMAN-LA ROCHE INC. (US) 2008-08-26 US disclosed
EP-1907388-A1 NOVEL HETEROARYL FUSED CYCLIC AMINES F. Hoffmann-Roche AG (CH) 2008-04-09 EP disclosed
WO-2007009883-A1 NOVEL HETEROARYL FUSED CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed
US-20070015812-A1 Factor Xa inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-01-18 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 (2 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-20240317748-A1 CARBONYL SUBSTITUTED DIAZASPIRO COMPOUNDS AND ITS USE SDHA, PDHA1, GLS ELANE 2790/4885HSD17B10 1040/4885MEN1 873/4885
US-20070015812-A1 Factor Xa inhibitors F12, F11, F2 ELANE 77/4885HSD17B10 2368/4885MEN1 268/4885

“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.