SCHEMBL4881527

SCHEMBL4881527

CC(C)(C)OC(=O)C1Cc2ccccc2C(CC(=O)O)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
EPHX2 P34913 1/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.35
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RECQL P46063 1/20 0.33
MAPK1 P28482 3/20 0.33
IDO1 P14902 1/20 0.33
NAMPT P43490 1/20 0.33
OPRM1 P35372 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CYP1A2 P05177 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
SCHEMBL9631444 0.83 MAPT (0.47) PTPRASMN1; SMN2MAPTGAAOPRM1
SCHEMBL29163914 0.78 TSHR (0.35) EPHX2MEN1KMT2ARECQLMAPK1
SCHEMBL29163911 0.78 TSHR (0.35) EPHX2MEN1KMT2ARECQLMAPK1
Hydrochloric Acid SCHEMBL7278125 0.76 TSHR (0.36) EPHX2MAPTGAAMEN1KMT2A
SCHEMBL2218168 0.75 MAPT (0.43) SMN1; SMN2EPHX2MAPTGAAHTT
SCHEMBL8120909 0.75 MAPT (0.43) SMN1; SMN2EPHX2MAPTGAAHTT
SCHEMBL2216604 0.75 MAPT (0.43) SMN1; SMN2EPHX2MAPTGAAHTT
SCHEMBL1325536 0.75 MAPT (0.43) SMN1; SMN2EPHX2MAPTGAAHTT
SCHEMBL3570843 0.75 MAPT (0.43) SMN1; SMN2EPHX2MAPTGAAHTT
SCHEMBL29599645 0.75 MAPT (0.43) SMN1; SMN2EPHX2MAPTGAAHTT

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-2002059107-A1 SUBSTITUTED PIPERIDINES/PIPERAZINES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed
WO-2002059095-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 (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 PTPRA 2881/4885SMN1; SMN2 2185/4885EPHX2 2221/4885
US-20040058936-A1 Substituted piperidines/piperazines as melanocortin receptor agonists MC1R, MC4R, MC5R PTPRA 3772/4885SMN1; SMN2 2576/4885EPHX2 4130/4885

“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.