SCHEMBL992158

SCHEMBL992158

C=C(C)CC(O)(CCN(C(=O)OC)C(C)(C)C#Cc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.35
NR1H2 P55055 2/20 0.33
HTT P42858 1/20 0.32
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.30
NR1H3 Q13133 1/20 0.30
KCNN4 O15554 2/20 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
SCHEMBL990795 0.90 HSD11B1 (0.37) HSD11B1NR1H2HTTALOX5MAPT
SCHEMBL12950521 0.84 KCNN4 (0.36) NR1H2MAPTNR1H3KCNN4
SCHEMBL991891 0.82 ALDH1A1 (0.35) NR1H2HTTMAPTNR1H3KCNN4
SCHEMBL991395 0.71 CYP2C19 (0.34) HTTMAPT
SCHEMBL11905922 0.69 OGT (0.40) HSD11B1
SCHEMBL116411 0.68 OPRM1 (0.34) MAPT
SCHEMBL735527 0.67 SMN1; SMN2 (0.34) ALOX5KCNN4
SCHEMBL2546997 0.67 ALDH1A1 (0.40) NR1H2HTTMAPTNR1H3KCNN4
SCHEMBL3717915 0.66 KMT2A (0.34) NR1H2NR1H3KCNN4
SCHEMBL993278 0.66 OPRM1 (0.36) KCNN4

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-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

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 HSD11B1 1/4885NR1H2 148/4885HTT 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.