SCHEMBL955441

SCHEMBL955441

CC1(c2ccccc2)CCNC(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.49
CBLB Q13191 1/20 0.44
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGER3 P43115 1/20 0.36
OPRM1 P35372 1/20 0.36
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 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
SCHEMBL1268222 0.82 PTGER3 (0.47) HSD11B1MMP2MMP9TSHRMEN1
SCHEMBL958394 0.82 CBLB (0.49) HSD11B1CBLBMEN1KMT2A
SCHEMBL31322242 0.77 HSD11B1 (0.40) HSD11B1GRIN1GRIN2AGRIN2BMMP2
SCHEMBL6584071 0.74 PDE4B (0.59) CBLBTSHRMEN1KMT2ALMNA
SCHEMBL6239764 0.73 HSD11B1 (0.57) HSD11B1GRIN1GRIN2AMEN1POLB
SCHEMBL27229513 0.69 GRIN1 (0.49) GRIN1GRIN2AGRIN2BMMP2MMP9
SCHEMBL22147812 0.69 GRIN1 (0.49) GRIN1GRIN2AGRIN2BMMP2MMP9
SCHEMBL14980691 0.69 HSD11B1 (0.39) HSD11B1GRIN1GRIN2AGRIN2BMMP2
SCHEMBL2522735 0.69
SCHEMBL11094371 0.68 OPRM1 (0.47) HSD11B1TSHRCYP1A2OPRM1

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
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 US disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 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-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885CBLB 4476/4885GRIN1 585/4885

“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.