SCHEMBL2636985

SCHEMBL2636985

Cn1c(=O)n([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2ncc(Cl)cc21

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.62
PIK3CA P42336 5/20 0.49
TNF P01375 3/20 0.49
LITAF Q99732 3/20 0.49
MTOR P42345 3/20 0.47
PRKDC P78527 1/20 0.47
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PIK3CD O00329 5/20 0.44
NR3C1 P04150 2/20 0.43
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
ATM Q13315 1/20 0.40
ATR Q13535 1/20 0.40

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
SCHEMBL2636984 1.00 HSD11B1 (0.62) HSD11B1PIK3CATNFLITAFMTOR
SCHEMBL29712733 0.85 HSD11B1 (0.46) HSD11B1PIK3CATNFLITAFMTOR
SCHEMBL27100941 0.85 HSD11B1 (0.46) HSD11B1PIK3CATNFLITAFMTOR
SCHEMBL21593726 0.84 PIK3CA (0.47) HSD11B1PIK3CATNFLITAFMTOR
SCHEMBL21593644 0.84 PIK3CA (0.47) HSD11B1PIK3CATNFLITAFMTOR
SCHEMBL21593713 0.84 PIK3CA (0.47) HSD11B1PIK3CATNFLITAFMTOR
SCHEMBL2636722 0.82 HSD11B1 (0.59) HSD11B1PIK3CATNFLITAFPIK3CD
SCHEMBL2636724 0.82 HSD11B1 (0.59) HSD11B1PIK3CATNFLITAFPIK3CD
SCHEMBL13007642 0.79 TNF (0.46) HSD11B1PIK3CATNFLITAFPIK3CD
SCHEMBL13007640 0.79 TNF (0.46) HSD11B1PIK3CATNFLITAFPIK3CD

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 7 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
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
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
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 1/4885PIK3CA 2082/4885TNF 3407/4885

“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.