SCHEMBL5336322

SCHEMBL5336322

CC(C)NC(=O)Nc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KCNQ2 O43526 2/20 0.49
BACE1 P56817 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 2/20 0.48
NAMPT P43490 1/20 0.47
TSHR P16473 3/20 0.47
GLA P06280 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 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
SCHEMBL5337500 0.88 ALDH1A1 (0.67) ALDH1A1KCNQ2BACE1NPSR1NAMPT
SCHEMBL17491558 0.84 NAMPT (0.52) ALDH1A1BACE1NPSR1L3MBTL1MAPT
SCHEMBL5335893 0.83 MEN1 (0.69) ALDH1A1NPSR1L3MBTL1MAPTTSHR
SCHEMBL14355837 0.81 MAPK1 (0.57) ALDH1A1KCNQ2NPSR1L3MBTL1MAPT
SCHEMBL5335920 0.81 BACE1 (0.49) ALDH1A1BACE1NPSR1MAPTNAMPT
SCHEMBL6165657 0.80 SMN1; SMN2 (0.47) ALDH1A1KCNQ2BACE1NPSR1L3MBTL1
SCHEMBL5335839 0.80 ACHE (0.47) ALDH1A1BACE1NPSR1MAPTNAMPT
SCHEMBL5334602 0.80 BACE1 (0.46) ALDH1A1BACE1NPSR1L3MBTL1MAPT
SCHEMBL25634800 0.79 BACE1 (0.49) ALDH1A1BACE1MAPTNAMPTTSHR
SCHEMBL8133454 0.79 NPSR1 (0.54) ALDH1A1NPSR1L3MBTL1MAPTTSHR

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 4 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

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 ALDH1A1 1055/4885KCNQ2 1569/4885BACE1 4081/4885

“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.