SCHEMBL992024

SCHEMBL992024

C=C(C)CC(O)(CCNC(C)(C)c1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.33
HIF1A Q16665 1/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 2/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C9 P11712 1/20 0.32
PDE2A O00408 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
HDAC3 O15379 1/20 0.31
KIF11 P52732 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL991383 0.77 CYP2C19 (0.34) CYP2C19HIF1AHTTCYP1A2CYP2C9
SCHEMBL11922655 0.77 CYP2C19 (0.39) CYP2C19HIF1AHTTSMN1; SMN2LMNA
SCHEMBL117417 0.77 SMN1; SMN2 (0.40) CYP2C19HTTSMN1; SMN2LMNAPOLB
SCHEMBL11055846 0.74 CYP2C19 (0.48) CYP2C19HIF1AHTTSMN1; SMN2CYP1A2
SCHEMBL18380911 0.74 CYP2C19 (0.41) CYP2C19HIF1ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL1027242 0.73 PLAAT3 (0.40) SMN1; SMN2MAPTHSP90AA1OPRM1MEN1
SCHEMBL3192627 0.73 SIGMAR1 (0.39) CYP2C19HTTSMN1; SMN2LMNAPOLB
SCHEMBL116411 0.73 OPRM1 (0.34) CYP2C19HIF1ASMN1; SMN2LMNAPOLB
SCHEMBL1902599 0.72 SMN1; SMN2 (0.43) CYP2C19HTTSMN1; SMN2LMNAPOLB
SCHEMBL15959071 0.72 CYP2C19 (0.42) CYP2C19HIF1AHTTSMN1; SMN2LMNA

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 CYP2C19 74/4885HIF1A 1395/4885HTT 4105/4885

“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.