SCHEMBL474662

SCHEMBL474662

O=C1C(Cc2ccc(Br)cc2Cl)CCN1[C@H]1CC[C@@H](F)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
OPRM1 P35372 7/20 0.35
CCR5 P51681 1/20 0.35
P2RX7 Q99572 5/20 0.34
ROCK2 O75116 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A4 P31645 1/20 0.32
FPR2 P25090 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
SCHEMBL474663 1.00 HSD11B1 (0.41) HSD11B1OPRM1CCR5P2RX7ROCK2
SCHEMBL474703 1.00 HSD11B1 (0.41) HSD11B1OPRM1CCR5P2RX7ROCK2
SCHEMBL2998485 0.89 HSD11B1 (0.41) HSD11B1OPRM1CCR5P2RX7ROCK2
SCHEMBL2996001 0.89 HSD11B1 (0.41) HSD11B1OPRM1CCR5P2RX7ROCK2
SCHEMBL2990822 0.89 HSD11B1 (0.54) HSD11B1OPRM1P2RX7ROCK2
SCHEMBL10072596 0.88 HSD11B1 (0.41) HSD11B1OPRM1P2RX7ROCK2
SCHEMBL2208101 0.88 HSD11B1 (0.41) HSD11B1OPRM1CCR5P2RX7ROCK2
SCHEMBL13675621 0.87 HSD11B1 (0.39) HSD11B1OPRM1P2RX7ROCK2HTR1A
SCHEMBL2999375 0.86 HSD11B1 (0.39) HSD11B1OPRM1P2RX7ROCK2HTR1A
SCHEMBL2989266 0.86 HSD11B1 (0.39) HSD11B1OPRM1P2RX7ROCK2HTR1A

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 9 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
CN-101432262-B Cyclohexyl-substituted pyrrolidinones as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 LILLY CO ELI 2011-06-01 CN 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
CN-101432262-B Cyclohexyl-substituted pyrrolidinones as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 LILLY CO ELI 2011-06-01 CN disclosed
US-20090239911-A1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-09-24 US disclosed
CN-101432262-A Cyclohexyl-substituted pyrrolidinones as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 LILLY CO ELI (US) 2009-05-13 CN 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 1/4885OPRM1 1439/4885CCR5 780/4885

“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.