SCHEMBL4881533

SCHEMBL4881533

CC(C)(C)OC(=O)C1(CC(=O)O)NCCc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.35
MAPK1 P28482 1/20 0.34
KDM1A O60341 3/20 0.34
MEN1 O00255 4/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL5211064 0.79 MAPK1 (0.36) KIF11MAPK1KDM1AMEN1EDNRB
SCHEMBL19122693 0.74 EPHX2 (0.37) MAPK1KDM1AEPHX2
SCHEMBL30965948 0.71 CHRNA7 (0.36) KIF11MAPK1KDM1AEDNRBEDNRA
SCHEMBL29271794 0.71 CHRNA7 (0.36) KIF11MAPK1KDM1AEDNRBEDNRA
SCHEMBL27645994 0.71 KDM1A (0.34) KDM1ATSHR
SCHEMBL27799486 0.70 MEN1 (0.38) KIF11MEN1TSHRNPSR1
SCHEMBL5204567 0.69 HDAC9 (0.40) KDM1A
SCHEMBL3930950 0.68 KDM1A (0.38) KDM1A
SCHEMBL4738908 0.68 GHSR (0.44) KDM1AEPHX2
SCHEMBL21722317 0.68 ALDH1A1 (0.39) KIF11MEN1EDNRBEDNRAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314879-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2008-01-01 US disclosed
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed
US-7157463-B2 Substituted piperidines/piperazines as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
EP-1469851-B1 MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2006-10-11 EP disclosed
US-20050075344-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2005-04-07 US disclosed
EP-1469851-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2004-10-27 EP disclosed
US-20040116699-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-06-17 US disclosed
US-20040058936-A1 Substituted piperidines/piperazines as melanocortin receptor agonists ELI LILLY AND COMPANY 2004-03-25 US disclosed
EP-1368339-A1 SUBSTITUTED PIPERIDINES/PIPERAZINES AS MELANOCORTIN RECEPTOR AGONISTS Eli Lilly & Company (US) 2003-12-10 EP disclosed
EP-1358163-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-11-05 EP disclosed
WO-2003061660-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-07-31 WO disclosed
WO-2002059095-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed
WO-2002059107-A1 SUBSTITUTED PIPERIDINES/PIPERAZINES 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 (2 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-20050075344-A1 Melanocortin receptor agonists MC4R, MC1R, MC5R KIF11 3345/4885MAPK1 1037/4885KDM1A 2652/4885
US-20040058936-A1 Substituted piperidines/piperazines as melanocortin receptor agonists MC1R, MC4R, MC5R KIF11 3506/4885MAPK1 740/4885KDM1A 1635/4885

“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.