SCHEMBL5996402

SCHEMBL5996402

C=CCC1CC(OCc2ccc3ccccc3c2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 2/20 0.47
ABCB1 P08183 1/20 0.47
MC4R P32245 4/20 0.44
MC3R P41968 4/20 0.44
MC1R Q01726 4/20 0.44
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
KCNH2 Q12809 2/20 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
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
NR1H2 P55055 1/20 0.36

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
SCHEMBL5844739 0.88 ABCB1 (0.57) BDKRB2ABCB1MCL1GPR119NR1H2
SCHEMBL5844741 0.88 ABCB1 (0.57) BDKRB2ABCB1MCL1GPR119NR1H2
SCHEMBL26893928 0.85 ABCB1 (0.47) BDKRB2ABCB1GPR119
SCHEMBL5996840 0.85 MC4R (0.52) BDKRB2ABCB1MC4RMC3RMC1R
SCHEMBL14207221 0.84 BDKRB2 (0.46) BDKRB2ABCB1MC4RMC3RMC1R
SCHEMBL6380853 0.82 BDKRB2 (0.48) BDKRB2ABCB1MC4RMC3RMC1R
SCHEMBL6380846 0.82 BDKRB2 (0.48) BDKRB2ABCB1MC4RMC3RMC1R
SCHEMBL6380857 0.82 BDKRB2 (0.48) BDKRB2ABCB1MC4RMC3RMC1R
SCHEMBL5997538 0.82 MC4R (0.48) BDKRB2ABCB1MC4RMC3RMC1R
SCHEMBL1536643 0.76 MCL1 (0.39) ABCB1MC4RMC3RMC1RMEN1

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 BDKRB2 95/4885ABCB1 1852/4885MC4R 2/4885
US-20060106059-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R BDKRB2 85/4885ABCB1 3105/4885MC4R 2/4885
US-20040224985-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R BDKRB2 95/4885ABCB1 1852/4885MC4R 2/4885

“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.