SCHEMBL5844869

SCHEMBL5844869

C=CCC1CC(OCc2ccccc2)CN1C(=O)C(Cc1ccc(F)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.47
ABCB1 P08183 1/20 0.46
MC4R P32245 2/20 0.46
MC3R P41968 2/20 0.46
MC1R Q01726 2/20 0.46
P2RX7 Q99572 1/20 0.45
CTSS P25774 3/20 0.45
CTSK P43235 2/20 0.45
SCN9A Q15858 5/20 0.43
KMT2A Q03164 2/20 0.42
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
ACE P12821 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL5843211 0.86 ABCB1 (0.45) ABCB1MC4RMC3RMC1RP2RX7
SCHEMBL5844838 0.82 MC3R (0.53) MC4RMC3RMC1RF2PRSS1
SCHEMBL5844741 0.78 ABCB1 (0.57) ABCB1F2
SCHEMBL5844739 0.78 ABCB1 (0.57) ABCB1F2
SCHEMBL3059318 0.75 ABCB1 (0.47) ABCB1ACE
SCHEMBL3059316 0.75 ABCB1 (0.47) ABCB1ACE
SCHEMBL3812802 0.73 ABCB1 (0.46) ABCB1CTSKCTSL
SCHEMBL3063867 0.73 ABCB1 (0.46) ABCB1CTSKCTSL
SCHEMBL15047170 0.73 KLK7 (0.49) CTSSCTSKKMT2AACECTSL
SCHEMBL18813663 0.72 CTSS (0.62) P2RX7CTSSCTSKACECTSL

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 PABPC1 3834/4885ABCB1 3595/4885MC4R 8/4885
US-20060247224-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R PABPC1 3855/4885ABCB1 3470/4885MC4R 8/4885

“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.