SCHEMBL4697440

SCHEMBL4697440

COC(=O)c1cccc(COc2ccc3cc(C(C4CCCCC4)C4CCNC4=O)ccc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.48
CYP3A4 P08684 2/20 0.48
PRKDC P78527 1/20 0.44
MRGPRX4 Q96LA9 5/20 0.44
GPR84 Q9NQS5 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GCGR P47871 1/20 0.39
MAOB P27338 1/20 0.39
PTPN1 P18031 1/20 0.39
TDP2 O95551 1/20 0.39

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
SCHEMBL4698641 0.91 MRGPRX4 (0.51) CYP26A1CYP3A4MRGPRX4NPC1RAB9A
SCHEMBL4697044 0.80 PDE3B (0.43) CYP3A4PDE3BPDE3A
SCHEMBL4698593 0.77 PDE3B (0.42) CYP3A4PDE3BPDE3A
SCHEMBL3747975 0.73 CYP3A4 (0.42) CYP3A4PRKDCGPR84NPC1MAPT
SCHEMBL4697436 0.70 HSD11B1 (0.48) CYP26A1CYP3A4PRKDCMRGPRX4GPR84
SCHEMBL9574659 0.69 MRGPRX4 (0.64) MRGPRX4NPC1GAAMAPTXBP1
SCHEMBL21234334 0.69 MRGPRX4 (0.76) CYP26A1CYP3A4MRGPRX4NPC1RAB9A
SCHEMBL9372702 0.67 MRGPRX4 (0.70) PRKDCMRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL3076072 0.66 HRH3 (0.67) MRGPRX4GPR84NPC1GAAMAPT
SCHEMBL21578904 0.66 MRGPRX4 (0.76) MRGPRX4NPC1RAB9ASMN1; SMN2

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 8 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 claimed
EP-1830841-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-02 EP claimed
EP-1830841-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-09-12 EP claimed
WO-2006068992-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-06-29 WO claimed
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 CYP26A1 176/4885CYP3A4 339/4885PRKDC 4075/4885

“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.