SCHEMBL5844566

SCHEMBL5844566

CCC1CN(C(Cc2ccc3ccccc3c2)C(=O)O)CCN1C(=O)C(Cc1ccc(Cl)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
MC4R P32245 13/20 0.47
MC3R P41968 11/20 0.44
MC1R Q01726 11/20 0.44
PTPN1 P18031 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.40
ACE P12821 1/20 0.40

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
SCHEMBL5845585 0.94 CTSB (0.45) CTSBCTSSCTSKMC4RMC3R
SCHEMBL5844886 0.93 MC4R (0.53) CTSBCTSSCTSKMC4RMC3R
SCHEMBL5846233 0.87 MC4R (0.50) CTSBCTSSCTSKMC4RMC3R
SCHEMBL5844130 0.87 MC4R (0.49) CTSBCTSSCTSKMC4RMC3R
SCHEMBL5845024 0.86 MC4R (0.57) MC4RMC3RMC1R
SCHEMBL5845070 0.85 MC4R (0.49) CTSBCTSSCTSKMC4RMC3R
SCHEMBL5845533 0.82 MC4R (0.48) MC4RMC3RMC1R
SCHEMBL5844954 0.80 MC4R (0.48) CTSBCTSSCTSKMC4RMC3R
SCHEMBL5845692 0.80 MC4R (0.57) MC4RMC3RMC1R
SCHEMBL5845820 0.79 MC4R (0.55) MC4RMC3RMC1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132539-B2 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY (US) 2006-11-07 US disclosed
US-20060247224-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2006-11-02 US disclosed
EP-1556361-A2 2-ALKYL-(2-AMINO-3-ARYL-PROPIONYL)-PIPERAZINE DERIVATIVES AND RELATED COMPOUNDS AS MELANOCORTIN RECEPTOR LIGANDS FOR THE TREATMENT OF OBESITY THE PROCTER & GAMBLE COMPANY (US) 2005-07-27 EP disclosed
US-20050010031-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2005-01-13 US disclosed
WO-2004037797-A2 2 - ALKYL - (2 - AMINO - 3 - ARYL - PROPIONYL) - PIPERAZINE DERIVATIVES AND RELATED COMPOUNDS AS MELANOCORTIN RECEPTOR LIGANDS FOR THE TREATMENT OF OBESITY THE PROCTER & GAMBLE COMPANY (US) 2004-05-06 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-20050010031-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R CTSB 4583/4885CTSS 4607/4885CTSK 4675/4885
US-20060247224-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R CTSB 4651/4885CTSS 4619/4885CTSK 4667/4885

“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.