SCHEMBL474803

SCHEMBL474803

COc1ccc(CC2CCN(C3CC=C(F)CC3)C2=O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
P2RX7 Q99572 2/20 0.38
CYP24A1 Q07973 5/20 0.36
CYP27A1 Q02318 3/20 0.36
CYP26A1 O43174 2/20 0.36
HSD11B1 P28845 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
ACHE P22303 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
BTK Q06187 1/20 0.33

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
SCHEMBL10072278 0.92 HTR2C (0.34) OPRM1OPRD1OPRK1HTR1ASLC6A4
SCHEMBL2204952 0.86 OPRM1 (0.42) OPRM1OPRD1OPRK1HTR1ASLC6A4
SCHEMBL4517793 0.83 HSD11B1 (0.52) OPRM1OPRD1OPRK1HTR1ASLC6A4
SCHEMBL4510197 0.78 OPRM1 (0.39) OPRM1OPRD1OPRK1HTR1ASLC6A4
SCHEMBL13674485 0.78 OPRM1 (0.39) OPRM1OPRD1OPRK1HTR1ASLC6A4
SCHEMBL474782 0.77 HSD11B1 (0.39) OPRM1OPRD1OPRK1HTR1ASLC6A4
SCHEMBL12432112 0.77 OPRM1 (0.36) OPRM1OPRD1OPRK1HTR1ASLC6A4
SCHEMBL2210506 0.77 OPRM1 (0.38) OPRM1OPRD1OPRK1HTR1ASLC6A4
SCHEMBL2206168 0.77 ALDH1A1 (0.40) OPRM1OPRD1OPRK1HTR1ASLC6A4
SCHEMBL14386160 0.76 OPRM1 (0.35) OPRM1OPRD1OPRK1HTR1ASLC6A4

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 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
US-20090239911-A1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-09-24 US disclosed
EP-2049475-A1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 Eli Lilly & Company (US) 2009-04-22 EP disclosed
WO-2007127704-A1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 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-20090239911-A1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 OPRM1 1439/4885OPRD1 287/4885OPRK1 455/4885

“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.