SCHEMBL474719

SCHEMBL474719

O=C1C(Cc2c(Cl)cc(-c3ccc(Cl)cc3)cc2Cl)CCN1C1CCC(F)(F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.39
ROCK2 O75116 4/20 0.34
PARP1 P09874 3/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 1/20 0.33
MCHR1 Q99705 1/20 0.33
KCNJ6 P48051 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
CACNB4 O00305 1/20 0.31
CACNA1A O00555 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNG3 O60359 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNB3 P54284 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNG7 P62955 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNA1D Q01668 1/20 0.31

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
SCHEMBL474718 1.00 HSD11B1 (0.39) HSD11B1ROCK2PARP1CNR1CNR2
SCHEMBL474673 0.94 HSD11B1 (0.39) HSD11B1ROCK2PARP1CNR1MCHR1
SCHEMBL474674 0.94 HSD11B1 (0.39) HSD11B1ROCK2PARP1CNR1MCHR1
SCHEMBL474792 0.89 HSD11B1 (0.38) HSD11B1ROCK2PARP1
SCHEMBL474642 0.88 AKR1C2 (0.38) HSD11B1ROCK2MCHR1
SCHEMBL474851 0.88 AKR1C2 (0.38) HSD11B1ROCK2MCHR1
SCHEMBL13897773 0.88 HSD11B1 (0.35) HSD11B1ROCK2PARP1MCHR1KCNJ6
SCHEMBL474794 0.87 HSD11B1 (0.36) HSD11B1ROCK2PARP1KCNJ6KCNJ5
SCHEMBL3130188 0.86 FASN (0.37) HSD11B1
SCHEMBL3130194 0.86 FASN (0.37) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049475-B1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2012-02-01 EP claimed
US-7998999-B2 Cyclohexyl substituted pyrrolidinones as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2011-08-16 US claimed
US-20090239911-A1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-09-24 US claimed
EP-2049475-B1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2012-02-01 EP disclosed
US-7998999-B2 Cyclohexyl substituted pyrrolidinones as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2011-08-16 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 (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-20090239911-A1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 HSD11B1 1/4885ROCK2 1962/4885PARP1 669/4885

“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.