SCHEMBL77743

SCHEMBL77743

O=C(Nc1ccc(N2CCOCC2=O)cc1)[C@H]1C[C@@H](O)CN1C(=O)/C=C/c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.60
NAMPT P43490 7/20 0.46
MTOR P42345 1/20 0.41
IDH1 O75874 2/20 0.39
JAK3 P52333 1/20 0.38
PTGS2 P35354 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
SCHEMBL77744 1.00 F10 (0.60) F10NAMPTMTORIDH1JAK3
SCHEMBL76235 0.90 F10 (0.64) F10MTORJAK3PTGS2
SCHEMBL76234 0.90 F10 (0.64) F10MTORJAK3PTGS2
SCHEMBL76695 0.89 F10 (0.52) F10NAMPTMTOR
SCHEMBL76694 0.89 F10 (0.52) F10NAMPTMTOR
SCHEMBL76430 0.88 F10 (0.46) F10NAMPTMTORJAK3
SCHEMBL76431 0.88 F10 (0.46) F10NAMPTMTORJAK3
SCHEMBL76113 0.88 F10 (0.64) F10NAMPTMTOR
SCHEMBL76112 0.88 F10 (0.64) F10NAMPTMTOR
SCHEMBL2639870 0.87 F10 (0.46) F10NAMPTMTORIDH1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US claimed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US claimed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 US 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-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 5/4885NAMPT 3125/4885MTOR 2911/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB F10 22/4885NAMPT 2823/4885MTOR 3783/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX F10 5/4885NAMPT 3125/4885MTOR 2911/4885

“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.