SCHEMBL3543018

SCHEMBL3543018

N#Cc1ncccc1-c1ccc(C(C2CCCCC2)C2CCNC2=O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
F10 P00742 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
CYP11B2 P19099 1/20 0.35
METAP2 P50579 2/20 0.35
CDC7 O00311 1/20 0.32
P2RX7 Q99572 1/20 0.31
GRM2 Q14416 1/20 0.31
GCK P35557 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL3550340 0.81 PTGS2 (0.35) IRAK4CYP11B2SLC6A3
SCHEMBL3547821 0.80 BACE1 (0.40) PRMT5WDR77IRAK4CYP11B2
Hydrochloric Acid SCHEMBL3549200 0.79 BACE1 (0.40) PRMT5WDR77IRAK4CYP11B2
SCHEMBL208946 0.79 P2RX7 (0.38) P2RX7
SCHEMBL2992953 0.75 F2R (0.33)
SCHEMBL3544149 0.74 KDM4E (0.37)
SCHEMBL2988655 0.74 PDE4D (0.38) SLC6A3
SCHEMBL2995580 0.74 CHRM1 (0.40) METAP2SLC6A3
SCHEMBL2999256 0.74 PDE4D (0.41)
SCHEMBL2993023 0.73 PDE4D (0.37) SLC6A3

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 PRMT5 2150/4885WDR77 3214/4885F10 629/4885

“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.