SCHEMBL5844709

SCHEMBL5844709

CNC(=O)C(Cc1cccc(Cl)c1)N1CCN(C(=O)C(N)Cc2ccc(F)cc2)C(COC)C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MC3R P41968 17/20 0.51
MC4R P32245 17/20 0.51
MC1R Q01726 16/20 0.51
HDAC8 Q9BY41 1/20 0.44
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL5844652 0.94 MC3R (0.45) MC3RMC4RMC1RHDAC8DPP4
SCHEMBL5844935 0.94 MC4R (0.53) MC3RMC4RMC1RDPP4DPP8
SCHEMBL5844679 0.92 MC3R (0.51) MC3RMC4RMC1RDPP4DPP8
SCHEMBL5845193 0.91 MC3R (0.50) MC3RMC4RMC1R
SCHEMBL6170335 0.90 MC3R (0.56) MC3RMC4RMC1RHDAC8
Hydrochloric Acid SCHEMBL5844678 0.89 MC3R (0.55) MC3RMC4RMC1RHDAC8
SCHEMBL5845055 0.89 MC3R (0.47) MC3RMC4RMC1RHDAC8DPP4
SCHEMBL5844854 0.88 MC3R (0.65) MC3RMC4RMC1R
SCHEMBL19213518 0.88 MC3R (0.49) MC3RMC4RMC1RDPP4DPP8
SCHEMBL5844820 0.88 DPP4 (0.48) MC3RMC4RMC1RDPP4DPP8

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 9 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 claimed
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 claimed
US-20050010031-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2005-01-13 US claimed
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 claimed
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 MC3R 1/4885MC4R 8/4885MC1R 3/4885
US-20060247224-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R MC3R 1/4885MC4R 8/4885MC1R 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.