SCHEMBL5382178

SCHEMBL5382178

COc1ccc2c(c1)CC(C(=O)O)NC2(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DPP4 P27487 1/20 0.39
POLA1 P09884 2/20 0.39
ACHE P22303 3/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL5334491 0.84 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5341333 0.82 KDM4E (0.42) KDM4E
SCHEMBL9264834 0.80 L3MBTL1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL29683348 0.77 KDM4E (0.51) KDM4EHSD17B10
SCHEMBL321068 0.77 KDM4E (0.51) KDM4EHSD17B10
SCHEMBL31370360 0.76 ROCK2 (0.55) MTNR1AMTNR1BDPP4ACHECA1
SCHEMBL16879090 0.76 DPP4 (0.57) MTNR1AMTNR1BDPP4ACHECA1
SCHEMBL2320838 0.76 ROCK2 (0.55) MTNR1AMTNR1BDPP4ACHECA1
SCHEMBL7785428 0.76 DPP4 (0.57) MTNR1AMTNR1BDPP4ACHECA1
SCHEMBL17601713 0.76 MAPT (0.43) KDM4EALDH1A1HPGDHSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186715-B2 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-03-06 US disclosed
EP-1370558-B1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-24 EP disclosed
US-20040082590-A1 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY 2004-04-29 US disclosed
EP-1370558-A1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-17 EP disclosed
WO-2002059117-A1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS 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-20040082590-A1 Piperazine- and piperidine-derivatives as melanocortin receptor agonists MC1R, MC4R, MC5R MTNR1A 44/4885MTNR1B 58/4885KDM4E 2844/4885

“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.