SCHEMBL5846478

SCHEMBL5846478

C=CCC1CC(OCc2ccccc2)CN1C(=O)[CH]Cc1ccc(F)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 2/20 0.41
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
MC4R P32245 3/20 0.35
MC3R P41968 3/20 0.35
MC1R Q01726 3/20 0.35
ABCB1 P08183 1/20 0.34
BCHE P06276 3/20 0.33
ACHE P22303 1/20 0.33
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
CHRM3 P20309 1/20 0.33
BTK Q06187 1/20 0.32
PARP1 P09874 1/20 0.32
AOC3 Q16853 1/20 0.32

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
SCHEMBL3127933 0.78 BCHE (0.44) BCHEBTKPARP1
SCHEMBL5844838 0.74 MC3R (0.53) BDKRB2MC4RMC3RMC1R
SCHEMBL5844739 0.72 ABCB1 (0.57) BDKRB2DRD2DRD3ABCB1BCHE
SCHEMBL5844741 0.72 ABCB1 (0.57) BDKRB2DRD2DRD3ABCB1BCHE
SCHEMBL178628 0.69 ABCB1 (0.44) BDKRB2ABCB1
SCHEMBL5844869 0.68 PABPC1 (0.47) MC4RMC3RMC1RABCB1
SCHEMBL13625881 0.68 BDKRB2 (0.52) BDKRB2DRD2DRD3ABCB1
SCHEMBL3140842 0.68 ALDH1A1 (0.35) BTKPARP1
SCHEMBL5996402 0.64 BDKRB2 (0.47) BDKRB2MC4RMC3RMC1RABCB1
SCHEMBL3140703 0.64 PARP1 (0.43) BTKPARP1

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-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
US-20050010031-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2005-01-13 US 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 BDKRB2 33/4885DRD2 346/4885DRD3 168/4885
US-20060247224-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R BDKRB2 33/4885DRD2 325/4885DRD3 155/4885

“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.