SCHEMBL474674

SCHEMBL474674

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.39
ROCK2 O75116 4/20 0.37
MCHR1 Q99705 2/20 0.33
PARP1 P09874 4/20 0.32
CYP2D6 P10635 3/20 0.32
CYP2B6 P20813 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
CTSS P25774 1/20 0.32
CNR1 P21554 1/20 0.32
CHRM2 P08172 2/20 0.32
CYP2C9 P11712 2/20 0.32
CHRM3 P20309 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.30
GRIN2B Q13224 1/20 0.30
P2RX7 Q99572 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL474673 1.00 HSD11B1 (0.39) HSD11B1ROCK2MCHR1PARP1CYP2D6
SCHEMBL474719 0.94 HSD11B1 (0.39) HSD11B1ROCK2MCHR1PARP1CNR1
SCHEMBL474718 0.94 HSD11B1 (0.39) HSD11B1ROCK2MCHR1PARP1CNR1
SCHEMBL474792 0.89 HSD11B1 (0.38) HSD11B1ROCK2PARP1CYP2D6CYP2B6
SCHEMBL13897773 0.88 HSD11B1 (0.35) HSD11B1ROCK2MCHR1PARP1CYP2D6
SCHEMBL474642 0.88 AKR1C2 (0.38) HSD11B1ROCK2MCHR1
SCHEMBL474851 0.88 AKR1C2 (0.38) HSD11B1ROCK2MCHR1
SCHEMBL474794 0.87 HSD11B1 (0.36) HSD11B1ROCK2PARP1CYP2D6CYP2B6
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 6 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
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
EP-2049475-B1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2012-02-01 EP disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 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 (2 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-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885ROCK2 1034/4885MCHR1 2600/4885
US-20090239911-A1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 HSD11B1 1/4885ROCK2 1962/4885MCHR1 1799/4885

“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.