SCHEMBL6131693

SCHEMBL6131693

O=C(OCCO)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1=CC(=O)C12CCOCC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
ITGA4 P13612 4/20 0.35
ITGB7 P26010 3/20 0.35
KCNJ1 P48048 2/20 0.34
HDAC1 Q13547 1/20 0.34
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
TLR3 O15455 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
ITGB1 P05556 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 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
SCHEMBL6131675 0.90 MAPT (0.37) L3MBTL1LMNAKCNJ1SMN1; SMN2ALDH1A1
SCHEMBL6131689 0.88 L3MBTL1 (0.36) L3MBTL1ITGA4ITGB7KCNJ1HDAC1
SCHEMBL6131691 0.87 CTSC (0.34) ITGA4ITGB7HDAC1ITGB1
SCHEMBL6532346 0.80 ITGB1 (0.41) L3MBTL1LMNAITGA4KCNJ1SMN1; SMN2
SCHEMBL6131662 0.76 ITGB1 (0.50) LMNAITGA4CA2ALDH1A1MAPT
SCHEMBL6131661 0.76 ITGB1 (0.50) LMNAITGA4CA2ALDH1A1MAPT
SCHEMBL6131684 0.76 PPID (0.41) LMNAITGA4ITGB7ITGB1
SCHEMBL6131686 0.76 PPID (0.41) LMNAITGA4ITGB7ITGB1
SCHEMBL6131690 0.74 PPID (0.34) ITGA4ITGB7ITGB1KMT2A
SCHEMBL4734050 0.73 LMNA (0.41) L3MBTL1LMNAITGA4KCNJ1SMN1; SMN2

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 L3MBTL1 1306/4885LMNA 1856/4885ITGA4 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.