SCHEMBL10116155

SCHEMBL10116155

C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 10/20 1.00
▸ PGR P06401 1/20 0.91
▸ GLUL P15104 1/20 0.85

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
SCHEMBL12956236 1.00 NR3C1 (1.00) NR3C1PGRGLUL
SCHEMBL21024922 0.96 NR3C1 (1.00) NR3C1PGR
SCHEMBL12956251 0.96 NR3C1 (1.00) NR3C1PGR
SCHEMBL25913015 0.96 NR3C1 (1.00) NR3C1PGR
SCHEMBL18017599 0.96 NR3C1 (0.93) NR3C1PGRGLUL
SCHEMBL1880230 0.96 NR3C1 (1.00) NR3C1PGR
SCHEMBL12956166 0.95 NR3C1 (1.00) NR3C1PGRGLUL
SCHEMBL11995501 0.95 NR3C1 (1.00) NR3C1PGR
SCHEMBL13581501 0.94 NR3C1 (1.00) NR3C1PGR
SCHEMBL12956174 0.94 NR3C1 (1.00) NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214846-A1 HEXAHYDROCYCLOPENTYL[F]INDAZOLE PYRIDYL ETHANOLS AND DERIVATIVES THEREOF AS SELECTIVE GLUCOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP (US) 2012-08-23 — — US disclosed
US-20120214846-A1 HEXAHYDROCYCLOPENTYL[F]INDAZOLE PYRIDYL ETHANOLS AND DERIVATIVES THEREOF AS SELECTIVE GLUCOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP (US) 2012-08-23 — — US disclosed
US-8119681-B2 2-[1-phenyl-5-hydroxy or methoxy-4alpha-methyl-hexahydrocyclopenta [ƒ]indazole-5-YL]ethyl phenyl derivatives as glucocorticoid receptor ligands MERCK SHARP & DOHME CORP. (US) 2012-02-21 — — US disclosed
US-8119681-B2 2-[1-phenyl-5-hydroxy or methoxy-4alpha-methyl-hexahydrocyclopenta [ƒ]indazole-5-YL]ethyl phenyl derivatives as glucocorticoid receptor ligands MERCK SHARP & DOHME CORP. (US) 2012-02-21 — — US disclosed
EP-1496892-B1 1H-BENZO(F)INDAZOL-5-YL DERIVATIVES AS SELECTIVE GLUCOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-01-26 — — EP disclosed
US-20100311709-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCYCLOPENTA [f]INDAZOLE-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. 2010-12-09 — — US disclosed
US-20100311709-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCYCLOPENTA [f]INDAZOLE-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. 2010-12-09 — — US disclosed
US-7625937-B2 1H-benzo[F]indazol-5-YL derivatives as selective glucocorticoid receptor modulators MERCK & CO., INC. (US) 2009-12-01 — — US disclosed
US-7625937-B2 1H-benzo[F]indazol-5-YL derivatives as selective glucocorticoid receptor modulators MERCK & CO., INC. (US) 2009-12-01 — — US disclosed
US-20080076795-A1 1H-benzo[F]indazol-5-YL derivatives as selective glucocorticoid receptor modulators MERCK SHARP & DOHME CORP. 2008-03-27 — — US disclosed
US-20080076795-A1 1H-benzo[F]indazol-5-YL derivatives as selective glucocorticoid receptor modulators MERCK SHARP & DOHME CORP. 2008-03-27 — — US disclosed
US-7282591-B2 1h-benzo{f}indazol-5-yl derivatives as selective glucocorticoid receptor modulators MERCK & CO., INC. (US) 2007-10-16 — — US disclosed
US-7282591-B2 1h-benzo{f}indazol-5-yl derivatives as selective glucocorticoid receptor modulators MERCK & CO., INC. (US) 2007-10-16 — — US 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 (3 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-20080076795-A1 1H-benzo[F]indazol-5-YL derivatives as selective glucocorticoid receptor modulators NR3C1, NR3C2, GRK5 NR3C1 1/4885PGR 135/4885GLUL 2420/4885
US-20120214846-A1 HEXAHYDROCYCLOPENTYL[F]INDAZOLE PYRIDYL ETHANOLS AND DERIVATIVES THEREOF AS SELECTIVE GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, GRK5 NR3C1 1/4885PGR 225/4885GLUL 3336/4885
US-20100311709-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCYCLOPENTA [f]INDAZOLE-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS NR3C1, NR3C2, NR5A1 NR3C1 1/4885PGR 163/4885GLUL 4000/4885

“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.

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