SCHEMBL85155

SCHEMBL85155

O=C([C@H]1C[C@@H](O)CN1C(=O)Nc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.51
CA2 P00918 4/20 0.51
CA9 Q16790 4/20 0.51
F10 P00742 1/20 0.51
CA1 P00915 2/20 0.50
TRPV1 Q8NER1 1/20 0.50
NAMPT P43490 2/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CACNA1G O43497 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MEN1 O00255 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
SCHEMBL77683 0.90 CA12 (0.52) CA12CA2CA9F10CA1
SCHEMBL75979 0.90 TRPV1 (0.65) CA12CA2CA9F10CA1
SCHEMBL75788 0.85 KDM4E (0.54) CA12CA2CA9CA1TRPV1
SCHEMBL77525 0.84 GAA (0.55) CA12CA2CA9CA1NAMPT
SCHEMBL77436 0.81 LMNA (0.48) F10TRPV1LMNASMN1; SMN2KDM4E
SCHEMBL3833286 0.80 F10 (0.66) CA12CA2CA9F10LMNA
SCHEMBL13890612 0.79 F10 (0.56) F10LMNASMN1; SMN2MAPTNPC1
SCHEMBL20446631 0.79 F10 (0.56) F10LMNASMN1; SMN2MAPTNPC1
SCHEMBL20446539 0.79 F10 (0.56) F10LMNASMN1; SMN2MAPTNPC1
SCHEMBL20446603 0.79 F10 (0.56) F10LMNASMN1; SMN2MAPTNPC1

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-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 (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 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

“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.