SCHEMBL1641198

SCHEMBL1641198

CC(c1ccc(Br)cc1)N(CCC(=O)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX5 P09917 1/20 0.36
HSD11B1 P28845 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ESRRB O95718 1/20 0.35
ESR1 P03372 1/20 0.35
ESRRA P11474 1/20 0.35
ESRRG P62508 1/20 0.35
USP5 P45974 1/20 0.35

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
SCHEMBL1641199 1.00 KMT2A (0.42) KMT2ASMN1; SMN2MEN1NPC1HPGD
SCHEMBL1463848 0.93 SMN1; SMN2 (0.38) KMT2ASMN1; SMN2MEN1NPC1HPGD
SCHEMBL1463846 0.93 SMN1; SMN2 (0.38) KMT2ASMN1; SMN2MEN1NPC1HPGD
SCHEMBL1463909 0.89 NPC1 (0.37) KMT2AMEN1NPC1RAB9AALOX5
SCHEMBL1463908 0.89 NPC1 (0.37) KMT2AMEN1NPC1RAB9AALOX5
SCHEMBL960035 0.87 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2MEN1NPC1HPGD
SCHEMBL3768901 0.84 ALDH1A1 (0.35) KMT2ASMN1; SMN2MEN1ALOX5HSP90AA1
SCHEMBL3655180 0.84 ALDH1A1 (0.35) KMT2ASMN1; SMN2MEN1ALOX5HSP90AA1
SCHEMBL3768894 0.84 ALDH1A1 (0.35) KMT2ASMN1; SMN2MEN1ALOX5HSP90AA1
SCHEMBL3655177 0.84 ALDH1A1 (0.35) KMT2ASMN1; SMN2MEN1ALOX5HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079861-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-07-14 US disclosed
EP-2220052-B1 CYCLIC UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2015-03-25 EP disclosed
US-8680281-B2 Lactam inhibitors of 11-β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
US-20110098320-A1 Lactam Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. 2011-04-28 US disclosed
US-20100324045-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-12-23 US disclosed
EP-2240448-A1 LACTAM INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-10-20 EP disclosed
EP-2220052-A1 CYCLIC UREA INHIBITORS OF 11 -HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-08-25 EP disclosed
WO-2009088997-A1 LACTAM INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-07-16 WO disclosed
WO-2009061498-A1 CYCLIC UREA INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-05-14 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-20100324045-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 KMT2A 4633/4885SMN1; SMN2 2797/4885MEN1 944/4885
US-20110098320-A1 Lactam Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD11B2, HSD17B1 KMT2A 4315/4885SMN1; SMN2 2241/4885MEN1 995/4885

“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.