SCHEMBL5333697

SCHEMBL5333697

CC(C)NCc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
PLA2G7 Q13093 1/20 0.48
MGLL Q99685 1/20 0.48
ABHD6 Q9BV23 1/20 0.48
GPR119 Q8TDV5 4/20 0.48
NAMPT P43490 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
GAA P10253 1/20 0.44
CKS1B P61024 2/20 0.44
SKP1 P63208 2/20 0.44
SKP2 Q13309 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44

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
SCHEMBL5340539 0.87 GPR119 (0.49) ACHEPLA2G7MGLLABHD6GPR119
SCHEMBL416461 0.86 ACHE (0.51) ACHEPLA2G7MGLLABHD6GPR119
SCHEMBL7981893 0.85 GAA (0.56) ACHEGPR119NAMPTSMN1; SMN2SMARCA2
SCHEMBL5338122 0.84 ACHE (0.49) ACHEPLA2G7MGLLABHD6GPR119
SCHEMBL5335815 0.84 MEN1 (0.47) ACHEPLA2G7MGLLABHD6GPR119
SCHEMBL28708137 0.84 GPR119 (0.49) ACHEGPR119NAMPTSMN1; SMN2SMARCA2
SCHEMBL5335100 0.83 PLA2G7 (0.61) ACHEPLA2G7MGLLABHD6GPR119
SCHEMBL7986047 0.83 CKS1B (0.57) ACHEPLA2G7MGLLABHD6GPR119
SCHEMBL5336824 0.82 MEN1 (0.46) ACHEPLA2G7MGLLABHD6GPR119
SCHEMBL5341195 0.82 MC4R (0.51) ACHEGPR119NAMPTSMN1; SMN2MEN1

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 ACHE 3483/4885PLA2G7 1585/4885MGLL 986/4885

“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.