SCHEMBL5996840

SCHEMBL5996840

CC(C)(C)OC(=O)N1CC(OCc2ccc3ccccc3c2)CC1CCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 4/20 0.52
MC3R P41968 4/20 0.52
MC1R Q01726 4/20 0.52
BDKRB2 P30411 2/20 0.47
ABCB1 P08183 1/20 0.47
NR1H2 P55055 2/20 0.42
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
KCNH2 Q12809 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
HTR3A P46098 1/20 0.39
HTR4 Q13639 1/20 0.39
MCL1 Q07820 2/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL5997538 0.88 MC4R (0.48) MC4RMC3RMC1RBDKRB2ABCB1
SCHEMBL5996402 0.85 BDKRB2 (0.47) MC4RMC3RMC1RBDKRB2ABCB1
SCHEMBL14207221 0.84 BDKRB2 (0.46) MC4RMC3RMC1RBDKRB2ABCB1
SCHEMBL6338200 0.84 ABCB1 (0.47) MC4RMC3RMC1RBDKRB2ABCB1
SCHEMBL6380846 0.82 BDKRB2 (0.48) MC4RMC3RMC1RBDKRB2ABCB1
SCHEMBL6380857 0.82 BDKRB2 (0.48) MC4RMC3RMC1RBDKRB2ABCB1
SCHEMBL6380853 0.82 BDKRB2 (0.48) MC4RMC3RMC1RBDKRB2ABCB1
SCHEMBL2980458 0.80 ABCB1 (0.57) MC4RMC3RMC1RBDKRB2ABCB1
SCHEMBL1751337 0.80 USP30 (0.44) ABCB1MCL1
SCHEMBL12021345 0.80 USP30 (0.44) ABCB1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087759-B2 for controlling weight; pyrrolidine or piperidine compounds THE PROCTER & GAMBLE COMPANY (US) 2006-08-08 US disclosed
US-20060106059-A1 Melanocortin receptor ligands MAZUR WIESLAW A 2006-05-18 US disclosed
EP-1390361-A4 MELANOCORTIN RECEPTOR LIGANDS PROCTER & GAMBLE (US) 2005-10-05 EP disclosed
US-6911447-B2 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY (US) 2005-06-28 US disclosed
US-20040224985-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2004-11-11 US disclosed
EP-1390361-A2 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2004-02-25 EP disclosed
US-20030109556-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2003-06-12 US disclosed
WO-2002085925-A2 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2002-10-31 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 (3 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-20030109556-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R MC4R 2/4885MC3R 1/4885MC1R 3/4885
US-20060106059-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R MC4R 2/4885MC3R 1/4885MC1R 3/4885
US-20040224985-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R MC4R 2/4885MC3R 1/4885MC1R 3/4885

“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.