SCHEMBL958394

SCHEMBL958394

CC1(c2cccc(Cl)c2)CCNC(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 2/20 0.49
HSD11B1 P28845 3/20 0.48
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
SLC6A3 Q01959 8/20 0.39
SLC6A2 P23975 7/20 0.39
SLC6A4 P31645 7/20 0.39
CHRNA1 P02708 5/20 0.39
CHRNG P07510 5/20 0.39
CHRNB1 P11230 5/20 0.39
CHRNB2 P17787 5/20 0.39
CHRNB4 P30926 5/20 0.39
CHRNA3 P32297 5/20 0.39
CHRNA4 P43681 5/20 0.39
CHRND Q07001 5/20 0.39
PGR P06401 1/20 0.39
CCR2 P41597 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4B Q07343 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
SCHEMBL955441 0.82 HSD11B1 (0.49) CBLBHSD11B1MEN1KMT2A
SCHEMBL27783648 0.71 SLC6A3 (0.53) HSD11B1HCAR3HCAR2SLC6A3SLC6A2
SCHEMBL27783647 0.71 SLC6A3 (0.53) HSD11B1HCAR3HCAR2SLC6A3SLC6A2
SCHEMBL26633125 0.68 SLC6A3 (0.47) HSD11B1HCAR3HCAR2SLC6A3SLC6A2
SCHEMBL9911479 0.67 SLC6A3 (0.49) HSD11B1HCAR3HCAR2SLC6A3SLC6A2
SCHEMBL5775758 0.66 HSD11B1 (0.38) CBLBHSD11B1HCAR3HCAR2SLC6A3
SCHEMBL5775507 0.66 HSD11B1 (0.38) HSD11B1HCAR3HCAR2SLC6A3SLC6A2
SCHEMBL5773915 0.66 HSD11B1 (0.43) CBLBHSD11B1HCAR3HCAR2SLC6A3
SCHEMBL21780752 0.66 SLC6A3 (0.43) HSD11B1SLC6A3SLC6A2SLC6A4CHRNA1
SCHEMBL1268222 0.65 PTGER3 (0.47) HSD11B1HCAR3HCAR2MEN1KMT2A

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 CBLB 4476/4885HSD11B1 1/4885HCAR3 1720/4885

“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.