SCHEMBL2636722

SCHEMBL2636722

CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3cc(Cl)cnc32)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.59
TNF P01375 3/20 0.46
LITAF Q99732 3/20 0.46
PIK3CA P42336 1/20 0.45
NR3C1 P04150 3/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
PABPC1 P11940 1/20 0.43
KMT2A Q03164 1/20 0.43
PIK3CD O00329 1/20 0.43
CCR5 P51681 2/20 0.42
HCAR1 Q9BXC0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
USP30 Q70CQ3 1/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL2636724 1.00 HSD11B1 (0.59) HSD11B1TNFLITAFPIK3CANR3C1
SCHEMBL23253207 0.90 HSD11B1 (0.49) HSD11B1TNFLITAFPIK3CAPIK3CD
SCHEMBL23253206 0.90 HSD11B1 (0.49) HSD11B1TNFLITAFPIK3CAPIK3CD
SCHEMBL23253093 0.88 HSD11B1 (0.47) HSD11B1TNFLITAFPIK3CAPIK3CD
SCHEMBL23253094 0.88 HSD11B1 (0.47) HSD11B1TNFLITAFPIK3CAPIK3CD
SCHEMBL7183859 0.87 HSD11B1 (0.47) HSD11B1TNFLITAFPIK3CANR3C1
SCHEMBL7183866 0.87 HSD11B1 (0.47) HSD11B1TNFLITAFPIK3CANR3C1
SCHEMBL21593650 0.85 PIK3CA (0.44) HSD11B1TNFLITAFPIK3CANR3C1
SCHEMBL21593598 0.85 PIK3CA (0.44) HSD11B1TNFLITAFPIK3CANR3C1
SCHEMBL29241169 0.85 NR3C1 (0.45) HSD11B1TNFLITAFPIK3CANR3C1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9163012-B2 Carbamate and urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-10-20 US disclosed
EP-2438043-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2012-04-11 EP disclosed
US-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-03-03 US disclosed
WO-2010141424-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2010-12-09 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-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885TNF 3407/4885LITAF 3979/4885

“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.