SCHEMBL3550340

SCHEMBL3550340

N#Cc1ccc(-c2ccc(C(C3CCCCC3)C3CCNC3=O)c(Cl)c2)cn1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
CYP11B2 P19099 2/20 0.33
KCNH2 Q12809 1/20 0.33
MELK Q14680 1/20 0.33
TNF P01375 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
PDE4A P27815 2/20 0.32
SYK P43405 1/20 0.32
SLC6A3 Q01959 1/20 0.31
GRIN2B Q13224 1/20 0.31
SCN9A Q15858 1/20 0.31
CTSC P53634 1/20 0.31
CYP11B1 P15538 1/20 0.31
USP30 Q70CQ3 1/20 0.31
PDE4B Q07343 1/20 0.31
CTSA P10619 1/20 0.31
KDM5B Q9UGL1 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
SCHEMBL3547821 0.85 BACE1 (0.40) PTGS2CYP11B2KCNH2IRAK4CYP11B1
Hydrochloric Acid SCHEMBL3549200 0.84 BACE1 (0.40) PTGS2CYP11B2KCNH2IRAK4CYP11B1
SCHEMBL2992953 0.84 F2R (0.33)
SCHEMBL3544149 0.83 KDM4E (0.37) PTGS2PDE4APDE4B
SCHEMBL3543018 0.81 PRMT5 (0.39) CYP11B2IRAK4SLC6A3
SCHEMBL2988655 0.77 PDE4D (0.38) PDE4ASLC6A3PDE4B
SCHEMBL3550290 0.77 P2RX7 (0.37) PTGS2IRAK4
SCHEMBL2993023 0.77 PDE4D (0.37) PDE4ASLC6A3PDE4B
SCHEMBL5503358 0.76 PTGS2 (0.33) PTGS2SLC6A3
SCHEMBL3548869 0.75 FFAR4 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713979-B2 Cycloalkyl lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-05-11 US claimed
EP-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP claimed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 US claimed
EP-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP claimed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO claimed
EP-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP 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-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSDL2, HSD17B1 PTGS2 737/4885CYP11B2 26/4885KCNH2 4160/4885

“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.