SCHEMBL77683

SCHEMBL77683

O=C([C@H]1C[C@@H](O)CN1C(=O)Nc1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.52
CA2 P00918 5/20 0.52
CA9 Q16790 5/20 0.52
CA1 P00915 3/20 0.52
F10 P00742 1/20 0.52
MAPT P10636 5/20 0.51
LMNA P02545 2/20 0.51
PANK3 Q9H999 1/20 0.51
HTT P42858 1/20 0.51
GLA P06280 1/20 0.50
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CACNA1G O43497 1/20 0.48
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL85155 0.90 CA12 (0.51) CA12CA2CA9CA1F10
SCHEMBL75979 0.88 TRPV1 (0.65) CA12CA2CA9CA1F10
SCHEMBL2640258 0.83 MAPT (0.48) CA12CA2CA9CA1MAPT
SCHEMBL3833286 0.80 F10 (0.66) CA12CA2CA9F10MAPT
SCHEMBL77525 0.80 GAA (0.55) CA12CA2CA9CA1MAPT
SCHEMBL77436 0.80 LMNA (0.48) F10MAPTLMNAHTTALDH1A1
SCHEMBL75788 0.80 KDM4E (0.54) CA12CA2CA9CA1MAPT
SCHEMBL76181 0.77 F10 (0.47) F10MAPTLMNAHTTPOLB
SCHEMBL13890612 0.75 F10 (0.56) F10MAPTLMNAHTTPOLB
SCHEMBL20446631 0.75 F10 (0.56) F10MAPTLMNAHTTPOLB

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-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 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 CA12 1090/4885CA2 2538/4885CA9 647/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB CA12 799/4885CA2 1045/4885CA9 1021/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX CA12 1090/4885CA2 2538/4885CA9 647/4885

“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.