SCHEMBL3744016

SCHEMBL3744016

O=C(O)c1ccc(COc2ccc3c(Cl)c(C(C4CCCCC4)C4CCNC4=O)sc3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 4/20 0.39
RXRA P19793 3/20 0.39
RXRG P48443 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NR4A2 P43354 1/20 0.38
DYRK1A Q13627 1/20 0.37
PTPN1 P18031 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
GRM2 Q14416 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35

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
SCHEMBL3753393 0.79 PDE3B (0.38) DYRK1ACYP1A2KMT2AKDM4EMEN1
SCHEMBL3744013 0.71 HSD11B1 (0.42) RXRBRXRARXRGNPC1RAB9A
SCHEMBL2988655 0.68 PDE4D (0.38) RXRBRXRANR1H4CYP2C9ALDH1A1
SCHEMBL2993023 0.67 PDE4D (0.37) RXRBRXRANR1H4CYP2C9ALDH1A1
SCHEMBL3744306 0.67 PDE4D (0.33)
SCHEMBL3548272 0.65 KMT2A (0.37) NPC1RAB9ANR1H4KMT2AMEN1
SCHEMBL2999221 0.65 MMP2 (0.41) HRH3CYP2C9ALDH1A1
SCHEMBL3554796 0.64 FFAR4 (0.41) CYP2C9KMT2AMEN1ALDH1A1
SCHEMBL5325213 0.64 PDE3B (0.36) DYRK1AKMT2AMEN1
SCHEMBL4696636 0.64 RCE1 (0.34) ALDH1A1

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-7834194-B2 Metabolic disorders; antidiabetic agents; hypoglycemic agents; obesity; hypotensive agents ELI LILLY AND COMPANY (US) 2010-11-16 US claimed
US-20080207691-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-08-28 US claimed
EP-1830840-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-16 EP claimed
US-7834194-B2 Metabolic disorders; antidiabetic agents; hypoglycemic agents; obesity; hypotensive agents ELI LILLY AND COMPANY (US) 2010-11-16 US disclosed
US-20080207691-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-08-28 US disclosed
EP-1830840-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-16 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-20080207691-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD17B10 RXRB 4633/4885RXRA 4750/4885RXRG 4575/4885

“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.