SCHEMBL6131690

SCHEMBL6131690

CC(O)OC(=O)C(Cc1ccc(N)cc1)NC1=CC(=O)C12CCOCC2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPID Q08752 2/20 0.34
ITGB1 P05556 4/20 0.33
ITGA4 P13612 4/20 0.33
CTSC P53634 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
ELANE P08246 1/20 0.31
ITGB7 P26010 2/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL6131684 0.90 PPID (0.41) PPIDITGB1ITGA4CTSCELANE
SCHEMBL6131686 0.90 PPID (0.41) PPIDITGB1ITGA4CTSCELANE
SCHEMBL6131691 0.87 CTSC (0.34) PPIDITGB1ITGA4CTSCITGB7
SCHEMBL6131689 0.87 L3MBTL1 (0.36) ITGA4ADRB2ADRB1ADRB3ITGB7
SCHEMBL4734985 0.80 ITGB1 (0.43) ITGB1ITGA4ELANEKMT2ANPSR1
SCHEMBL4750220 0.80 ITGB1 (0.44) PPIDITGB1ITGA4ELANE
SCHEMBL4750224 0.80 ITGB1 (0.44) PPIDITGB1ITGA4ELANE
SCHEMBL6131675 0.77 MAPT (0.37) ELANEKMT2A
SCHEMBL6131693 0.74 L3MBTL1 (0.36) ITGB1ITGA4ITGB7KMT2A
SCHEMBL4734039 0.72 MMP1 (0.42) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951943-B2 Process for the preparation of phenylalanine enamide derivatives CELLTECH R & D LIMITED (GB) 2005-10-04 US claimed
EP-1525181-A1 PROCESS FOR THE PREPARATION OF PHENYLALANINE ENAMIDE DERIVATIVES Celltech R & D Limited (GB) 2005-04-27 EP claimed
US-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2004-04-15 US claimed
WO-2004007428-A1 PROCESS FOR THE PREPARATION OF PHENYLALANINE ENAMIDE DERIVATIVES CELLTECH R & D LIMITED (GB) 2004-01-22 WO claimed
US-6951943-B2 Process for the preparation of phenylalanine enamide derivatives CELLTECH R & D LIMITED (GB) 2005-10-04 US disclosed
EP-1525181-A1 PROCESS FOR THE PREPARATION OF PHENYLALANINE ENAMIDE DERIVATIVES Celltech R & D Limited (GB) 2005-04-27 EP disclosed
US-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2004-04-15 US disclosed
WO-2004007428-A1 PROCESS FOR THE PREPARATION OF PHENYLALANINE ENAMIDE DERIVATIVES CELLTECH R & D LIMITED (GB) 2004-01-22 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-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives NPY2R, NPY1R, NPR1 PPID 3167/4885ITGB1 4148/4885ITGA4 3960/4885

“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.