SCHEMBL5846052

SCHEMBL5846052

CC(C)(C)OC(=O)N1CC2=CC=CCC2CC1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.35
HSD17B10 Q99714 1/20 0.34
PTPN1 P18031 2/20 0.33
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
UCHL1 P09936 2/20 0.31
HSD11B1 P28845 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31
HDAC8 Q9BY41 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2722019 0.82 MEN1 (0.32) HSD11B1CHRM2CHRM1CHRM3MEN1
SCHEMBL7481491 0.81 HTRA1 (0.35) HTRA1HSD17B10PTPN1CYP1A2POLB
SCHEMBL27799008 0.78 CHRM2 (0.32) HTRA1HSD17B10CHRM2CHRM1CHRM3
SCHEMBL25233333 0.74 FABP5 (0.42) KMT2A
SCHEMBL5556528 0.73 MAPT (0.47) PTPN1NPC1GPR119KMT2A
SCHEMBL5201925 0.70 HTRA1 (0.60) HTRA1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL1782234 0.70 HTRA1 (0.60) HTRA1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL2239296 0.70 HTRA1 (0.60) HTRA1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL9543379 0.70 HTRA1 (0.60) HTRA1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL4195796 0.70 HTRA1 (0.60) HTRA1CYP1A2POLBCYP3A4CYP2C19

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 6 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
CN-1703221-A 2-alkyl- (2-amino-3-aryl-propionyl) -piperazine derivatives and related compounds as melanocortin receptor ligands for the treatment of obesity PROCTER & GAMBLE (US) 2005-11-30 CN 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 HTRA1 3213/4885HSD17B10 3040/4885PTPN1 3914/4885
US-20060247224-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R HTRA1 3433/4885HSD17B10 2951/4885PTPN1 3856/4885

“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.