SCHEMBL4698630

SCHEMBL4698630

COc1cc(CC2CCN(C3CCC(O[Si](C)(C)C(C)(C)C)CC3)C2=O)c2ccccc2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
HTR1A P08908 1/20 0.35
SLC6A4 P31645 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
CYP24A1 Q07973 4/20 0.33
CYP27A1 Q02318 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FAAH O00519 2/20 0.32
CYP26A1 O43174 1/20 0.32
CCR8 P51685 3/20 0.32
KCNH2 Q12809 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4698631 1.00 HSD11B1 (0.36) HSD11B1HTR1ASLC6A4SIGMAR1CYP24A1
SCHEMBL4696676 0.83 HSD11B1 (0.54) HSD11B1HTR1ASLC6A4ALDH1A1FAAH
SCHEMBL2996018 0.80 HTR2A (0.34) HSD11B1ALDH1A1CCR8
SCHEMBL4699026 0.79 HSD11B1 (0.35) HSD11B1
SCHEMBL4699024 0.79 HSD11B1 (0.35) HSD11B1
SCHEMBL4699182 0.78 HSD11B1 (0.47) HSD11B1HTR1ASLC6A4KDM4EALDH1A1
SCHEMBL4697418 0.78 KDM4E (0.39) HSD11B1HTR1ASLC6A4SIGMAR1KDM4E
SCHEMBL4697064 0.78 KDM4E (0.39) HSD11B1HTR1ASLC6A4SIGMAR1KDM4E
SCHEMBL2992129 0.76 P2RX7 (0.36) HSD11B1SIGMAR1ALDH1A1
SCHEMBL2992128 0.76 P2RX7 (0.36) HSD11B1SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-09-04 US disclosed
EP-1830841-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-02 EP disclosed
EP-1830841-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-09-12 EP disclosed
WO-2006068992-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-06-29 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-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD3B1 HSD11B1 1/4885HTR1A 976/4885SLC6A4 2462/4885

“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.