SCHEMBL2990512

SCHEMBL2990512

CCOC(=O)CCCc1ccc(Cl)c(C(C2CCCCC2)C2CCNC2=O)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 3/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.34
SLC6A3 Q01959 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
CNR2 P34972 1/20 0.34
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 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
SCHEMBL2990507 0.68 HSD11B1 (0.41) CYP3A4CYP2C19GAAPOLBKMT2A
SCHEMBL3001203 0.68 FFAR4 (0.43) KMT2ACYP2C9MEN1
SCHEMBL2996241 0.64 SLC6A3 (0.39) POLBKMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL208796 0.64 PSEN1 (0.32)
SCHEMBL209957 0.62 USP5 (0.40)
SCHEMBL2998442 0.62 PGR (0.37) SLC6A3
SCHEMBL4064157 0.61 CNR2 (0.39) KMT2ASMN1; SMN2MEN1RAB9ACNR2
SCHEMBL8585798 0.61 CYP4F2 (0.57) CYP3A4CYP2C19CYP2D6CYP2C9CYP1A2
SCHEMBL6686500 0.60 CYP4F2 (0.49) CYP3A4CYP2C19POLBKMT2ACYP2D6
SCHEMBL1511092 0.58 CYP4F2 (0.64) CYP3A4CYP2C19GAAPOLBKMT2A

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-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2010-07-22 US disclosed
US-7713979-B2 Cycloalkyl lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-05-11 US disclosed
EP-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP disclosed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 US disclosed
EP-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP disclosed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 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 (2 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 CYP3A4 374/4885CYP2C19 91/4885GAA 589/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 CYP3A4 436/4885CYP2C19 163/4885GAA 528/4885

“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.