SCHEMBL5887812

SCHEMBL5887812

COC(=O)/C=C/C1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
HPGD P15428 1/20 0.43
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 3/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
RECQL P46063 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR119 Q8TDV5 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5887815 1.00 EPHX1 (0.47) EPHX1HPGDEPHX2ALDH1A1USP2
SCHEMBL5887728 0.83 EPHX1 (0.44) EPHX1HPGDEPHX2ALDH1A1USP2
SCHEMBL5887725 0.83 EPHX1 (0.44) EPHX1HPGDEPHX2ALDH1A1USP2
SCHEMBL3122325 0.82 EPHX1 (0.50) EPHX1HPGDEPHX2ALDH1A1USP2
SCHEMBL21644419 0.78 USP2 (0.43) EPHX1HPGDEPHX2ALDH1A1USP2
SCHEMBL21644418 0.78 USP2 (0.43) EPHX1HPGDEPHX2ALDH1A1USP2
SCHEMBL31511610 0.77 HPGD (0.41) EPHX1HPGDALDH1A1USP2SMN1; SMN2
SCHEMBL23083994 0.76 HPGD (0.47) EPHX1HPGDEPHX2ALDH1A1USP2
SCHEMBL6507349 0.76 EPHX1 (0.52) EPHX1HPGDEPHX2ALDH1A1USP2
SCHEMBL6132692 0.76 EPHX1 (0.51) EPHX1HPGDEPHX2ALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411940-B1 BRIDGED PIPERIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS MERCK & CO INC (US) 2008-10-15 EP disclosed
US-7026335-B2 Melanocortin receptor ligands THE PROCTER & GAMBLE CO. (US) 2006-04-11 US disclosed
US-20050239835-A1 Melanocortin receptor ligands EBETINO FRANK H 2005-10-27 US disclosed
US-20050171158-A1 Melanocortin receptor ligands EBETINO FRANK H (US) 2005-08-04 US disclosed
EP-1499314-A1 N-ACYL PIPERIDINE DERIVATIVES FOR USE AS MELANOCORTIN RECEPTOR LIGANDS IN THE TREATMENT OF FEEDING DISORDERS The Procter & Gamble Company (US) 2005-01-26 EP disclosed
EP-1499588-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2005-01-26 EP disclosed
US-20040010010-A1 Melanocortin receptor ligands PROCTER & GAMBLE COMPANY, THE 2004-01-15 US disclosed
US-20030236230-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2003-12-25 US disclosed
WO-2003092690-A1 N-ACYL PIPERIDINE DERIVATIVES FOR USE AS MELANOCORTIN RECEPTOR LIGANDS IN THE TREATMENT OF FEEDING DISORDERS THE PROCTER & GAMBLE COMPANY (US) 2003-11-13 WO disclosed
WO-2003093234-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2003-11-13 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 (4 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-20050171158-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R EPHX1 2497/4885HPGD 1962/4885EPHX2 1759/4885
US-20050239835-A1 Melanocortin receptor ligands MC1R, MC4R, MC3R EPHX1 3648/4885HPGD 2779/4885EPHX2 2474/4885
US-20040010010-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R EPHX1 3586/4885HPGD 3027/4885EPHX2 2223/4885
US-20030236230-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R EPHX1 2317/4885HPGD 2214/4885EPHX2 1579/4885

“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.