SCHEMBL5340539

SCHEMBL5340539

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.49
ACHE P22303 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NAMPT P43490 1/20 0.45
PLA2G7 Q13093 1/20 0.45
MGLL Q99685 1/20 0.45
ABHD6 Q9BV23 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43

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
SCHEMBL5338122 0.88 ACHE (0.49) GPR119ACHESMN1; SMN2MEN1CYP2C19
SCHEMBL5333697 0.87 ACHE (0.48) GPR119ACHESMN1; SMN2MEN1CYP2C19
SCHEMBL416461 0.85 ACHE (0.51) GPR119ACHESMN1; SMN2MEN1CYP2C19
SCHEMBL7981893 0.84 GAA (0.56) GPR119ACHESMN1; SMN2NAMPTLMNA
SCHEMBL5335815 0.83 MEN1 (0.47) GPR119ACHESMN1; SMN2MEN1CYP2C19
SCHEMBL28708137 0.83 GPR119 (0.49) GPR119ACHESMN1; SMN2NAMPTLMNA
SCHEMBL5336824 0.81 MEN1 (0.46) GPR119ACHESMN1; SMN2MEN1CYP2C19
SCHEMBL5341195 0.81 MC4R (0.51) GPR119ACHESMN1; SMN2MEN1CYP2C19
SCHEMBL615074 0.81 CHRM2 (0.52) GPR119ACHESMN1; SMN2MEN1CYP2C19
SCHEMBL14355804 0.81 BRD9 (0.51) HTTKDM4EALDH1A1GAA

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 GPR119 8/4885ACHE 3483/4885SMN1; SMN2 1943/4885

“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.