SCHEMBL5335893

SCHEMBL5335893

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

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
GAA P10253 2/20 0.68
MAPT P10636 4/20 0.67
ALDH1A1 P00352 8/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
NPSR1 Q6W5P4 6/20 0.55
TSHR P16473 5/20 0.55
GLA P06280 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL8133454 0.85 NPSR1 (0.54) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL5337500 0.85 ALDH1A1 (0.67) MEN1KMT2AALDH1A1NPSR1TSHR
SCHEMBL5335839 0.84 ACHE (0.47) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL8147613 0.83 TSHR (0.54) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL17491558 0.83 NAMPT (0.52) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL5336322 0.83 ALDH1A1 (0.52) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL14355833 0.82 GAA (0.80) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL5335920 0.80 BACE1 (0.49) MAPTALDH1A1NPSR1TSHRGLA
SCHEMBL8985828 0.80 ACHE (0.50) GAAMAPTALDH1A1TSHRGLA
SCHEMBL5334602 0.79 BACE1 (0.46) MEN1KMT2AMAPTALDH1A1L3MBTL1

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 MEN1 683/4885KMT2A 2707/4885GAA 2665/4885

“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.