SCHEMBL6029784

SCHEMBL6029784

CCO[C@@H](C(=O)NCc1ccc(C#N)cc1NCc1ccccc1F)N1C(=O)c2cccc(F)c2C1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.37
KMT2A Q03164 1/20 0.34
BDKRB1 P46663 6/20 0.34
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
GPR6 P46095 1/20 0.33
FBP1 P09467 1/20 0.33
PDE10A Q9Y233 1/20 0.33
TNF P01375 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
VNN1 O95497 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
SCHEMBL6029778 1.00 SLC1A2 (0.37) SLC1A2KMT2ABDKRB1FNTAFNTB
SCHEMBL6029560 0.86 TNF (0.35) SLC1A2KMT2ABDKRB1FNTAFNTB
SCHEMBL6077447 0.86 TNF (0.35) SLC1A2KMT2ABDKRB1FNTAFNTB
SCHEMBL6030840 0.85 F10 (0.38) SLC1A2KMT2ABDKRB1FBP1PDE10A
SCHEMBL6078428 0.85 F10 (0.38) SLC1A2KMT2ABDKRB1FBP1PDE10A
SCHEMBL6029874 0.84 TNF (0.36) KMT2ABDKRB1TNFPDCD1CD274
SCHEMBL6029869 0.84 TNF (0.36) KMT2ABDKRB1TNFPDCD1CD274
Acetic Acid SCHEMBL6079605 0.84 F10 (0.37) SLC1A2KMT2ABDKRB1FBP1PDE10A
SCHEMBL6078161 0.83 SLC1A2 (0.35) SLC1A2BDKRB1GPR6PDCD1CD274
SCHEMBL6078168 0.83 SLC1A2 (0.35) SLC1A2BDKRB1GPR6PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706396-A1 N-(4-CARBAMIMIDOYL-BENZYL)-2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F.HOFFMANN-LA ROCHE AG (CH) 2006-10-04 EP disclosed
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US disclosed
WO-2005058868-A1 N-(4-CARBAMIMIDOYL-BENZYL) -2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 US 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-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides F12, TFPI, F11 SLC1A2 2506/4885KMT2A 2080/4885BDKRB1 63/4885

“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.