SCHEMBL6131689

SCHEMBL6131689

CC(O)OC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC1=CC(=O)C12CCOCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
MEN1 O00255 1/20 0.35
HTR2A P28223 1/20 0.34
ITGA4 P13612 3/20 0.34
ITGB7 P26010 3/20 0.34
MAPT P10636 1/20 0.34
KCNJ1 P48048 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC1 Q13547 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
CTSL P07711 1/20 0.33
BACE1 P56817 1/20 0.33

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 0.91 MAPT (0.37) L3MBTL1KMT2AMAPTKCNJ1SMN1; SMN2
SCHEMBL6131693 0.88 L3MBTL1 (0.36) L3MBTL1KMT2AITGA4ITGB7MAPT
SCHEMBL6131690 0.87 PPID (0.34) KMT2AADRB2ADRB1ADRB3ITGA4
SCHEMBL6532346 0.81 ITGB1 (0.41) L3MBTL1KMT2AMEN1ITGA4MAPT
SCHEMBL6131686 0.77 PPID (0.41) ITGA4ITGB7BACE1
SCHEMBL6131661 0.76 ITGB1 (0.50) KMT2AMEN1ITGA4MAPT
SCHEMBL6131662 0.76 ITGB1 (0.50) KMT2AMEN1ITGA4MAPT
SCHEMBL4734050 0.74 LMNA (0.41) L3MBTL1KMT2AMEN1ITGA4MAPT
SCHEMBL6131691 0.74 CTSC (0.34) ITGA4ITGB7HDAC1
SCHEMBL4737032 0.74 BCHE (0.41) KMT2AMEN1ITGA4ITGB7MAPT

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-6951943-B2 Process for the preparation of phenylalanine enamide derivatives CELLTECH R & D LIMITED (GB) 2005-10-04 US claimed
US-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2004-04-15 US 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 1306/4885KMT2A 1241/4885ADRB2 129/4885

“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.