SCHEMBL6029006

SCHEMBL6029006

CCOC(C(=O)NCc1ccc(C#N)cc1NCc1ccc(C(=O)OC)cc1)N1Cc2c(F)cccc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VHL P40337 2/20 0.35
SDCBP O00560 1/20 0.35
SDC2 P34741 1/20 0.35
CCR3 P51677 1/20 0.34
BDKRB1 P46663 7/20 0.34
PRLHR P49683 1/20 0.34
LMNA P02545 1/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 1/20 0.33
ADORA2A P29274 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
HIF1A Q16665 1/20 0.32
NAMPT P43490 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
SCHEMBL6078168 0.84 SLC1A2 (0.35) VHLSDCBPSDC2BDKRB1LMNA
SCHEMBL6078161 0.84 SLC1A2 (0.35) VHLSDCBPSDC2BDKRB1LMNA
SCHEMBL6079279 0.82 F2 (0.36) VHLBDKRB1LMNA
Acetic Acid SCHEMBL6078533 0.80 ITGB3 (0.36) VHLBDKRB1LMNA
SCHEMBL6079462 0.78 F10 (0.38) VHLBDKRB1
SCHEMBL6079438 0.78 F10 (0.38) VHLBDKRB1
SCHEMBL6077844 0.78 F10 (0.37) BDKRB1LMNA
SCHEMBL6077854 0.78 F10 (0.37) BDKRB1LMNA
SCHEMBL6028345 0.78 NAMPT (0.33) CCR3PRLHRFNTAFNTBNAMPT
SCHEMBL6078352 0.77 SDCBP (0.34) VHLSDCBPSDC2LMNADRD2

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 VHL 1706/4885SDCBP 4822/4885SDC2 2144/4885

“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.