SCHEMBL5337500

SCHEMBL5337500

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
POLB P06746 1/20 0.61
MAPK1 P28482 1/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPSR1 Q6W5P4 5/20 0.52
TSHR P16473 4/20 0.52
GLA P06280 1/20 0.52
KCNQ2 O43526 1/20 0.51
BACE1 P56817 3/20 0.49
NAMPT P43490 1/20 0.49
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL5336322 0.88 ALDH1A1 (0.52) ALDH1A1POLBMAPK1CASP1CASP7
SCHEMBL17491558 0.86 NAMPT (0.52) ALDH1A1MAPK1MEN1KMT2ANPSR1
SCHEMBL5335893 0.85 MEN1 (0.69) ALDH1A1POLBMEN1KMT2ANPSR1
SCHEMBL5335920 0.83 BACE1 (0.49) ALDH1A1NPSR1TSHRGLABACE1
SCHEMBL5334602 0.82 BACE1 (0.46) ALDH1A1POLBMAPK1CASP1CASP7
SCHEMBL5335839 0.82 ACHE (0.47) ALDH1A1MEN1KMT2ANPSR1TSHR
SCHEMBL25634800 0.81 BACE1 (0.49) ALDH1A1TSHRGLABACE1NAMPT
SCHEMBL5340539 0.81 GPR119 (0.49) ALDH1A1MEN1KMT2ANPSR1BACE1
SCHEMBL6942726 0.81 ALDH1A1 (0.49) ALDH1A1KMT2ANPSR1TSHRGLA
SCHEMBL27093580 0.81 CKS1B (0.48) ALDH1A1MAPK1MEN1KMT2ANPSR1

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 ALDH1A1 1055/4885POLB 3986/4885MAPK1 704/4885

“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.