SCHEMBL3103779

SCHEMBL3103779

COC(=O)CN(C(=O)[C@H]1C[C@@H](OC)CN1C(=O)O)c1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.46
MLYCD O95822 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL76877 0.90 F10 (0.45) F10MLYCDCYP1A2CYP3A4CYP2D6
SCHEMBL76876 0.90 F10 (0.46) F10MLYCDCYP1A2CYP3A4CYP2D6
SCHEMBL85545 0.87 F10 (0.64) F10
SCHEMBL4214502 0.83 F10 (0.43) F10MLYCDCYP1A2CYP3A4CYP2D6
SCHEMBL3096939 0.79 F10 (0.65) F10
SCHEMBL76878 0.77 F10 (0.38) F10MLYCDCYP1A2CYP3A4CYP2D6
SCHEMBL77721 0.70 F10 (0.66) F10
SCHEMBL3114123 0.70 F10 (0.61) F10
SCHEMBL7734355 0.69 F10 (0.45) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL76762 0.69 F10 (0.83) F10

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-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-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 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 (3 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 5/4885MLYCD 370/4885CYP1A2 473/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB F10 22/4885MLYCD 416/4885CYP1A2 362/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX F10 5/4885MLYCD 370/4885CYP1A2 473/4885

“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.