SCHEMBL5336442

SCHEMBL5336442

CC(C)(C)OC(=O)N1CCN(c2ccccc2CN2CCOCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.53
ABHD6 Q9BV23 5/20 0.53
PLA2G7 Q13093 3/20 0.53
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 1/20 0.47
AKR1C3 P42330 3/20 0.46
GPR119 Q8TDV5 1/20 0.46
CYP2A13 Q16696 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL5335100 0.89 PLA2G7 (0.61) MGLLABHD6PLA2G7SMN1; SMN2GPR119
SCHEMBL5335298 0.88 MGLL (0.60) MGLLABHD6PLA2G7SMN1; SMN2GPR119
SCHEMBL30141417 0.87 MGLL (0.68) MGLLABHD6PLA2G7GPR119CHRM2
SCHEMBL28447724 0.87 MGLL (0.68) MGLLABHD6PLA2G7GPR119CHRM2
SCHEMBL15265333 0.85 MGLL (0.49) MGLLABHD6PLA2G7USP2SMN1; SMN2
SCHEMBL17276500 0.85 SMN1; SMN2 (0.62) USP2SMN1; SMN2AKR1C3GPR119ALDH1A1
SCHEMBL7981893 0.84 GAA (0.56) SMN1; SMN2GPR119CHRM2CHRM4CHRM1
SCHEMBL416461 0.83 ACHE (0.51) MGLLABHD6PLA2G7SMN1; SMN2GPR119
SCHEMBL615074 0.81 CHRM2 (0.52) SMN1; SMN2GPR119CHRM2CHRM4CHRM1
SCHEMBL1722245 0.81 SMN1; SMN2 (0.57) USP2SMN1; SMN2GPR119ALDH1A1LMNA

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-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
EP-1368340-B1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-10 EP disclosed
US-20040092507-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-05-13 US disclosed
EP-1368340-A1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2002059108-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 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 (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-20040092507-A1 Melanocortin receptor agonists MC1R, MC4R, MC5R MGLL 986/4885ABHD6 1367/4885PLA2G7 1585/4885

“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.