SCHEMBL3708743

SCHEMBL3708743

O=C(CBr)Nc1ccc(-n2ccccc2=O)cc1F

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.53

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
SCHEMBL4638922 0.81 F10 (0.53) F10
SCHEMBL3958738 0.80 F10 (0.67) F10
SCHEMBL3540006 0.79 F10 (0.65) F10
SCHEMBL3541699 0.79 F10 (0.65) F10
SCHEMBL3541022 0.79 MAPT (0.56) F10
SCHEMBL3812806 0.79 F10 (0.53) F10
SCHEMBL3541692 0.78 F10 (0.63) F10
SCHEMBL3541020 0.77 MAPT (0.54) F10
SCHEMBL8265326 0.77 F10 (0.65) F10
SCHEMBL3540004 0.77 F10 (0.62) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101208334-B Novel cyclic amines HOFFMANN LA ROCHE 2012-06-13 CN disclosed
US-20120122854-A1 Carbocyclic Fused Cyclic Amines BOEHRINGER MARKUS (CH) 2012-05-17 US disclosed
CN-101124208-B Novel heteroaryl acetamide HOFFMANN LA ROCHE 2011-07-06 CN disclosed
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 US disclosed
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 US disclosed
US-7718659-B2 Heteroarylacetamide inhibitors of factor Xa HOFFMANN-LA ROCHE INC. (US) 2010-05-18 US disclosed
US-7718659-B2 Heteroarylacetamide inhibitors of factor Xa HOFFMANN-LA ROCHE INC. (US) 2010-05-18 US disclosed
EP-1948639-A2 NOVEL CARBOCYCLIC FUSED CYCLIC AMINES F. Hoffmann-la Roche AG (CH) 2008-07-30 EP disclosed
CN-101208334-A Novel cyclic amines HOFFMANN LA ROCHE (CH) 2008-06-25 CN disclosed
US-20080146550-A1 HETEROARYLACETAMIDE INHIBITORS OF FACTOR Xa BOEHRINGER MARKUS 2008-06-19 US disclosed
US-20080146550-A1 HETEROARYLACETAMIDE INHIBITORS OF FACTOR Xa BOEHRINGER MARKUS 2008-06-19 US disclosed
US-7361672-B2 Heteroarylacetamide inhibitors of factor Xa HOFFMANN-LA ROCHE INC. (US) 2008-04-22 US disclosed
US-7361672-B2 Heteroarylacetamide inhibitors of factor Xa HOFFMANN-LA ROCHE INC. (US) 2008-04-22 US disclosed
CN-101124208-A Novel heteroaryl acetamide HOFFMANN LA ROCHE (CH) 2008-02-13 CN disclosed
WO-2007054453-A2 CARBOCYCLIC FUSED CYCLIC AMINES AS INHIBITORS OF THE COAGULATION FACTOR XA F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO disclosed
US-20070112012-A1 Carbocyclic fused cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2007-05-17 US disclosed
WO-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 WO disclosed
WO-2006066778-A2 NOVEL HETEROARYLACETAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 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 (3 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-20070112012-A1 Carbocyclic fused cyclic amines F12, F11, F2 F10 5/4885
US-20080146550-A1 HETEROARYLACETAMIDE INHIBITORS OF FACTOR Xa F12, TFPI, F2 F10 9/4885
US-20120122854-A1 Carbocyclic Fused Cyclic Amines F12, F11, F2 F10 5/4885

“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.