SCHEMBL2542597

SCHEMBL2542597

COC(=O)N(CCC(=O)c1ccccc1)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NR4A2 P43354 1/20 0.43
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CES1 P23141 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EGFR P00533 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
HDAC1 Q13547 3/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL3645623 0.80 KMT2A (0.43) KMT2APOLBMAPTMEN1KDM4E
SCHEMBL3646047 0.80 KMT2A (0.43) KMT2APOLBL3MBTL1MAPTMEN1
SCHEMBL12047463 0.74 KMT2A (0.70) KMT2ALMNAPOLBL3MBTL1MAPT
SCHEMBL3216487 0.74 KMT2A (0.51) KMT2ALMNAPOLBL3MBTL1MAPT
SCHEMBL21848475 0.73 KMT2A (0.58) KMT2ALMNAL3MBTL1MAPTTDP1
SCHEMBL941089 0.71 KMT2A (0.78) KMT2ALMNAL3MBTL1MAPTTDP1
SCHEMBL3206228 0.71 AKT1 (0.51) KMT2ALMNAL3MBTL1MAPTTDP1
SCHEMBL31093129 0.70 KMT2A (0.59) KMT2ALMNAPOLBL3MBTL1MAPT
SCHEMBL135356 0.70 NR4A2 (0.61) KMT2ALMNAPOLBL3MBTL1MAPT
Hydrochloric Acid SCHEMBL173470 0.70 KMT2A (0.75) KMT2ALMNAL3MBTL1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748444-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-06-10 US disclosed
US-8748444-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-06-10 US disclosed
US-8748444-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-06-10 US disclosed
US-20130245051-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2013-09-19 US disclosed
US-20130245051-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2013-09-19 US disclosed
US-20130245051-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2013-09-19 US disclosed
US-8440658-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-8440658-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-8440658-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20110263582-A1 CYCLIC UREA INHIBITORS OF 11 B-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-10-27 US disclosed
US-20110263582-A1 CYCLIC UREA INHIBITORS OF 11 B-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-10-27 US disclosed
US-20110263582-A1 CYCLIC UREA INHIBITORS OF 11 B-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-10-27 US disclosed
EP-2229368-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-09-22 EP disclosed
WO-2009075835-A1 CYCLIC UREA INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICAL, INC (US) 2009-06-18 WO disclosed
WO-2009075835-A1 CYCLIC UREA INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICAL, INC (US) 2009-06-18 WO 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-20110263582-A1 CYCLIC UREA INHIBITORS OF 11 B-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 KMT2A 4449/4885LMNA 2856/4885POLB 1078/4885
US-20130245051-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 KMT2A 4555/4885LMNA 2837/4885POLB 958/4885

“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.