SCHEMBL991611

SCHEMBL991611

COC(=O)N(CCC(=O)c1ccccc1)C1(c2ccc(Br)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
OPRM1 P35372 6/20 0.40
OPRL1 P41146 4/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
HSD11B1 P28845 1/20 0.37
KCNN4 O15554 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CCR1 P32246 1/20 0.35
HDAC1 Q13547 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
SCHEMBL993612 0.87 KMT2A (0.44) KMT2AOPRM1OPRL1OPRD1OPRK1
SCHEMBL993278 0.76 OPRM1 (0.36) OPRM1OPRL1OPRD1OPRK1KCNN4
SCHEMBL3709505 0.72 THRA (0.46) KMT2ANPC1HPGDRAB9AMEN1
SCHEMBL960035 0.71 SMN1; SMN2 (0.45) KMT2ANPC1HPGDRAB9AMEN1
SCHEMBL3645623 0.70 KMT2A (0.43) KMT2ANPC1HPGDRAB9AMEN1
SCHEMBL11926984 0.69 KMT2A (0.43) KMT2AOPRM1OPRK1NPC1HPGD
SCHEMBL959309 0.68 MTNR1A (0.46) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL2542597 0.66 KMT2A (0.54) KMT2ANPC1HPGDRAB9AMEN1
SCHEMBL1847562 0.65 KMT2A (0.46) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL12047463 0.65 KMT2A (0.70) KMT2ANPC1HPGDRAB9AMEN1

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-8927539-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 based on the 1,3-oxazinan-2-one structure VITAE PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-8927539-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 based on the 1,3-oxazinan-2-one structure VITAE PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-8927539-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 based on the 1,3-oxazinan-2-one structure VITAE PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-20120208804-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BASED ON THE 1,3 -OXAZINAN- 2 -ONE STRUCTURE VITAE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-20120208804-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BASED ON THE 1,3 -OXAZINAN- 2 -ONE STRUCTURE VITAE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-20120208804-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BASED ON THE 1,3 -OXAZINAN- 2 -ONE STRUCTURE VITAE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
EP-2440537-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BASED ON THE 1,3 -OXAZINAN- 2 -ONE STRUCTURE Vitae Pharmaceuticals, Inc. (US) 2012-04-18 EP disclosed
WO-2011011123-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BASED ON THE 1,3 -OXAZINAN- 2 -ONE STRUCTURE VITAE PHARMACEUTICALS, INC. (US) 2011-01-27 WO disclosed
WO-2011011123-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BASED ON THE 1,3 -OXAZINAN- 2 -ONE STRUCTURE VITAE PHARMACEUTICALS, INC. (US) 2011-01-27 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 (1 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-20120208804-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BASED ON THE 1,3 -OXAZINAN- 2 -ONE STRUCTURE HSD11B1, HSD11B2, HSD17B1 KMT2A 3940/4885OPRM1 2975/4885OPRL1 3482/4885

“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.