SCHEMBL76156

SCHEMBL76156

O=C(Nc1ccc(N2CCOCC2=O)cc1)C1CC(O)CN1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.57
PTGS2 P35354 3/20 0.44
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL76130 1.00 F10 (0.57) F10PTGS2MAPTTDP1
Hydrochloric Acid SCHEMBL76696 0.99 F10 (0.56) F10PTGS2
SCHEMBL76150 0.85 F10 (0.51) F10PTGS2MAPT
SCHEMBL4210268 0.82 F10 (0.50) F10PTGS2
SCHEMBL4206745 0.82 F10 (0.50) F10PTGS2
SCHEMBL75783 0.81 JAK2 (0.53) F10MAPTTDP1
SCHEMBL76631 0.81 F10 (0.52) F10PTGS2
SCHEMBL75782 0.81 JAK2 (0.53) F10MAPTTDP1
SCHEMBL77416 0.81 JAK2 (0.53) F10MAPTTDP1
Hydrochloric Acid SCHEMBL4202080 0.81 F10 (0.49) F10PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US claimed
EP-1720844-B1 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2009-04-29 EP claimed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX F10 5/4885PTGS2 768/4885MAPT 3896/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX F10 5/4885PTGS2 768/4885MAPT 3896/4885

“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.