SCHEMBL2996018

SCHEMBL2996018

COc1cc(Cl)c(CC2CCN(C3CCC(O[Si](C)(C)C(C)(C)C)CC3)C2=O)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HSD11B1 P28845 1/20 0.33
CRHR1 P34998 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
FFAR4 Q5NUL3 1/20 0.31
CCR8 P51685 3/20 0.31
BTK Q06187 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
THRB P10828 1/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2987602 0.90 FFAR4 (0.33) HTR2AHSD11B1FFAR4
SCHEMBL2987604 0.90 FFAR4 (0.33) HTR2AHSD11B1FFAR4
SCHEMBL4070178 0.89 HSD11B1 (0.34) HSD11B1
SCHEMBL210354 0.89 HSD11B1 (0.34) HSD11B1
SCHEMBL208428 0.89 HSD11B1 (0.34) HSD11B1
SCHEMBL208542 0.89 HSD11B1 (0.34) HSD11B1
SCHEMBL208430 0.89 HSD11B1 (0.34) HSD11B1
SCHEMBL208429 0.89 HSD11B1 (0.34) HSD11B1
SCHEMBL207956 0.87 HSD11B1 (0.32) HSD11B1
SCHEMBL208432 0.87 HSD11B1 (0.32) 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 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 HTR2A 1571/4885HTR2C 2050/4885HTR2B 1738/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 HTR2A 1310/4885HTR2C 1526/4885HTR2B 1231/4885

“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.