SCHEMBL5966485

SCHEMBL5966485

COC(=O)[C@@H](Cc1ccc2ccccc2c1)N(NC(N)=NNC(=O)[C@@H](CCCCc1ccccc1)Cc1ccccc1)C(=O)CCCC[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MC4R P32245 4/20 0.33
MC3R P41968 4/20 0.33
MC1R Q01726 4/20 0.33
IDE P14735 3/20 0.33
CTNNB1 P35222 1/20 0.32
HDAC1 Q13547 3/20 0.31
HDAC6 Q9UBN7 3/20 0.31
HDAC3 O15379 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL5966488 0.76 SSTR3 (0.41)
SCHEMBL5966581 0.71 CPA1 (0.39)
SCHEMBL5966483 0.69 CTSL (0.43) IDE
SCHEMBL5966480 0.68 BIRC2 (0.41) IDECTNNB1HDAC1HDAC6
SCHEMBL5966481 0.64 MMP3 (0.37)
SCHEMBL5966598 0.64 NPY4R (0.53) MC4RIDE
SCHEMBL5966605 0.64 NPY4R (0.53) MC4RIDE
SCHEMBL5966679 0.64 REN (0.41)
SCHEMBL5966557 0.62 FOLH1 (0.55)
SCHEMBL5966484 0.62 BIRC2 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128613-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2006-06-15 US disclosed
EP-1409540-A2 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2004-04-21 EP disclosed
WO-2002026774-A2 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2002-04-04 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 (1 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-20060128613-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.