SCHEMBL4273873

SCHEMBL4273873

Cc1ccc(CC(O)(c2ccc3c(cnn3-c3ccccc3)c2)C2CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.48
CYP11B1 P15538 5/20 0.47
CYP11B2 P19099 5/20 0.47
SMO Q99835 3/20 0.41
HPGDS O60760 1/20 0.39
HRH1 P35367 1/20 0.37

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
SCHEMBL4284994 0.93 NR3C1 (0.45) NR3C1CYP11B1CYP11B2SMOHPGDS
SCHEMBL4278323 0.90 NR3C1 (0.49) NR3C1CYP11B1CYP11B2SMOHPGDS
SCHEMBL4790453 0.86 NR3C1 (0.48) NR3C1CYP11B1CYP11B2SMOHPGDS
SCHEMBL4278046 0.86 NR3C1 (0.44) NR3C1CYP11B1CYP11B2SMOHPGDS
SCHEMBL4279351 0.84 HPGDS (0.47) NR3C1CYP11B1CYP11B2SMOHPGDS
SCHEMBL27704051 0.80 NR3C1 (0.51) NR3C1CYP11B1CYP11B2SMO
SCHEMBL4280819 0.77 NR3C1 (0.53) NR3C1CYP11B1CYP11B2HRH1
SCHEMBL4283498 0.77 NR3C1 (0.48) NR3C1CYP11B1CYP11B2HPGDSHRH1
SCHEMBL4278823 0.77 NR3C1 (0.55) NR3C1SMO
SCHEMBL4286891 0.76 NR3C1 (0.52) NR3C1CYP11B1CYP11B2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101193869-A Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMA (DE) 2008-06-04 CN claimed
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-15 US claimed
CN-101193869-B Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMA 2011-03-02 CN disclosed
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
CN-101193869-A Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMA (DE) 2008-06-04 CN disclosed
EP-1893588-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2008-03-05 EP disclosed
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
WO-2006135826-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 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-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, MC2R, NR3C2 NR3C1 1/4885CYP11B1 24/4885CYP11B2 40/4885

“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.