SCHEMBL75788

SCHEMBL75788

O=C([C@H]1C[C@@H](O)CN1C(=O)Nc1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPT P10636 2/20 0.53
PANK3 Q9H999 2/20 0.53
TRPV1 Q8NER1 3/20 0.51
MAPK1 P28482 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
NAMPT P43490 4/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
EPHX2 P34913 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 0.85 CA12 (0.51) KDM4EMAPTTRPV1MAPK1LMNA
SCHEMBL2639935 0.84 KDM4E (0.47) KDM4EALDH1A1MAPTPANK3TRPV1
SCHEMBL75979 0.83 TRPV1 (0.65) KDM4EALDH1A1MAPTTRPV1MAPK1
SCHEMBL14414043 0.81 KDM4E (0.81) KDM4EALDH1A1MAPTPANK3TRPV1
SCHEMBL77683 0.80 CA12 (0.52) KDM4EALDH1A1MAPTPANK3TRPV1
SCHEMBL77525 0.80 GAA (0.55) MAPTMAPK1LMNAGAACA12
SCHEMBL77436 0.79 LMNA (0.48) KDM4EALDH1A1MAPTTRPV1MAPK1
SCHEMBL76181 0.75 F10 (0.47) MAPTLMNAHTTEPHX2
SCHEMBL13890612 0.73 F10 (0.56) MAPTLMNAGAAHTT
SCHEMBL20446631 0.73 F10 (0.56) MAPTLMNAGAAHTT

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 KDM4E 1013/4885ALDH1A1 268/4885MAPT 3896/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB KDM4E 1954/4885ALDH1A1 339/4885MAPT 2660/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX KDM4E 1013/4885ALDH1A1 268/4885MAPT 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.