SCHEMBL4606642

SCHEMBL4606642

O=C(Nc1ccc(-n2ccccc2=O)cc1)[C@@H]1c2ccccc2CN1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.54
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46

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
SCHEMBL4605212 1.00 F10 (0.54) F10TAS1R3TAS1R1TAS1R2
SCHEMBL5582950 0.90 XIAP (0.47) F10TAS1R3TAS1R1TAS1R2
SCHEMBL10119700 0.90 XIAP (0.47) F10TAS1R3TAS1R1TAS1R2
SCHEMBL4603588 0.89 F10 (0.58) F10
SCHEMBL4605326 0.89 F10 (0.58) F10
SCHEMBL4604239 0.88 F10 (0.64) F10
SCHEMBL4606187 0.88 F10 (0.42) F10TAS1R3TAS1R1TAS1R2
SCHEMBL4604029 0.88 F10 (0.42) F10TAS1R3TAS1R1TAS1R2
SCHEMBL13626552 0.84 F10 (0.61) F10
SCHEMBL13626553 0.84 F10 (0.61) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948639-A2 NOVEL CARBOCYCLIC FUSED CYCLIC AMINES F. Hoffmann-la Roche AG (CH) 2008-07-30 EP claimed
WO-2007054453-A2 CARBOCYCLIC FUSED CYCLIC AMINES AS INHIBITORS OF THE COAGULATION FACTOR XA F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO claimed
US-20120122854-A1 Carbocyclic Fused Cyclic Amines BOEHRINGER MARKUS (CH) 2012-05-17 US disclosed
US-20070112012-A1 Carbocyclic fused cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2007-05-17 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 (2 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 5/4885TAS1R3 1047/4885TAS1R1 1286/4885
US-20120122854-A1 Carbocyclic Fused Cyclic Amines F12, F11, F2 F10 5/4885TAS1R3 1047/4885TAS1R1 1286/4885

“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.