SCHEMBL3453429

SCHEMBL3453429

O=C1C(Cc2c(Cl)cc(O)cc2Cl)CCN1C1CCc2nc[nH]c2C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.37
HSD11B1 P28845 1/20 0.32
HTR3A P46098 2/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
SLC6A4 P31645 1/20 0.31
OPRK1 P41145 1/20 0.31
HTR2B P41595 1/20 0.31
KCNH2 Q12809 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 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
SCHEMBL3454689 1.00 ADRA1A (0.37) ADRA1AHSD11B1HTR3AADRA2AADRA2B
SCHEMBL3453433 1.00 ADRA1A (0.37) ADRA1AHSD11B1HTR3AADRA2AADRA2B
SCHEMBL3453426 0.93 ADRA1A (0.32) ADRA1AHSD11B1
SCHEMBL3453486 0.87 ADRA1A (0.38) ADRA1AHSD11B1
SCHEMBL13109206 0.86 ROCK2 (0.36) ADRA1AHSD11B1
SCHEMBL3460017 0.85 HSD11B1 (0.39) ADRA1AHSD11B1
SCHEMBL2205486 0.83 HSD11B1 (0.31) HSD11B1
SCHEMBL2205480 0.83 HSD11B1 (0.31) HSD11B1
SCHEMBL2205483 0.83 HSD11B1 (0.31) HSD11B1
SCHEMBL2206215 0.81 HSD11B1 (0.31) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029576-B1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-06-19 EP disclosed
US-7820659-B2 Cyclohexylimidiazole lactam derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-10-26 US disclosed
US-20090088428-A1 CYCLOHEXYLIMIDIAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-02 US disclosed
EP-2029576-A1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007124329-A1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 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-20090088428-A1 CYCLOHEXYLIMIDIAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD11B2 ADRA1A 467/4885HSD11B1 1/4885HTR3A 558/4885

“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.