SCHEMBL5844739

SCHEMBL5844739

C=CCC1CC(OCc2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.57
BDKRB2 P30411 2/20 0.45
KLK7 P49862 1/20 0.42
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
PARP1 P09874 1/20 0.39
ELANE P08246 5/20 0.38
GPR119 Q8TDV5 1/20 0.38
F2 P00734 3/20 0.38
CTSG P08311 2/20 0.38
MCL1 Q07820 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
PRMT5 O14744 1/20 0.37

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
SCHEMBL5844741 1.00 ABCB1 (0.57) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL26893928 0.89 ABCB1 (0.47) ABCB1BDKRB2DRD2DRD3GPR119
SCHEMBL5996402 0.88 BDKRB2 (0.47) ABCB1BDKRB2NR1H2GPR119MCL1
SCHEMBL30421652 0.87 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL71548 0.87 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL30421047 0.87 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL28995867 0.87 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL3855580 0.87 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL1721741 0.87 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL7327353 0.87 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1

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 ABCB1 3595/4885BDKRB2 33/4885KLK7 4078/4885
US-20060247224-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R ABCB1 3470/4885BDKRB2 33/4885KLK7 4020/4885

“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.