SCHEMBL76293

SCHEMBL76293

O=C(Nc1ccc(N2CCOCCC2=O)cc1)C1CCCN1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.61
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.48
CCR1 P32246 3/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RHOC P08134 1/20 0.46
RHOA P61586 1/20 0.46

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
SCHEMBL76292 1.00 F10 (0.61) F10L3MBTL1MAPTTSHRCCR1
SCHEMBL76592 0.91 F10 (0.73) F10L3MBTL1MAPT
SCHEMBL76591 0.91 F10 (0.73) F10L3MBTL1MAPT
SCHEMBL76106 0.91 F10 (0.73) F10L3MBTL1MAPT
SCHEMBL76107 0.91 F10 (0.73) F10L3MBTL1MAPT
SCHEMBL76617 0.91 F10 (0.73) F10L3MBTL1MAPT
SCHEMBL13725967 0.88 F10 (0.53) F10L3MBTL1TSHRCCR1CYP2C9
SCHEMBL77682 0.85 F10 (0.84) F10MAPTPOLB
SCHEMBL75964 0.82 L3MBTL1 (0.55) F10L3MBTL1TSHRCCR1CYP2C9
SCHEMBL75965 0.82 L3MBTL1 (0.55) F10L3MBTL1TSHRCCR1CYP2C9

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-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

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 5/4885L3MBTL1 932/4885MAPT 3896/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB F10 22/4885L3MBTL1 2025/4885MAPT 2660/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX F10 5/4885L3MBTL1 932/4885MAPT 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.