SCHEMBL4598286

SCHEMBL4598286

CC(C)(C)OC(=O)N1c2ncccc2CC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
GPR119 Q8TDV5 3/20 0.41
GRM5 P41594 3/20 0.39
GRM1 Q13255 2/20 0.39
MAPK1 P28482 1/20 0.39
ACE P12821 1/20 0.38

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
SCHEMBL14097932 1.00 POLB (0.43) POLBGPR119GRM5GRM1MAPK1
SCHEMBL17094798 0.99 POLB (0.42) POLBGPR119GRM5GRM1MAPK1
SCHEMBL18181042 0.90 POLB (0.40) POLBGPR119GRM5GRM1MAPK1
SCHEMBL17094785 0.90 POLB (0.41) POLBGPR119GRM5GRM1MAPK1
Lithium Ion SCHEMBL17094797 0.89 POLB (0.40) POLBGPR119GRM5GRM1MAPK1
SCHEMBL17094830 0.89 PTPN1 (0.42) POLBGPR119GRM5GRM1MAPK1
SCHEMBL4597401 0.86 NR1D1 (0.40) POLBGPR119GRM5GRM1
SCHEMBL8877460 0.85 POLB (0.43) POLBGPR119GRM5GRM1MAPK1
SCHEMBL18181191 0.85 POLB (0.43) POLBGPR119GRM5GRM1MAPK1
SCHEMBL17094786 0.85 CHIA (0.41) POLBGPR119MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070015812-A1 Factor Xa inhibitors F12, F11, F2 POLB 3801/4885GPR119 2863/4885GRM5 3515/4885

“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.