SCHEMBL4628259

SCHEMBL4628259

Cc1nc(N)ccc1CCC(N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.48
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
GRM6 O15303 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL4628266 0.84 CPB2 (0.56) CPB2GABRPGABRDGABRA1GABRB1
SCHEMBL25410695 0.77 GABRP (0.55) CPB2GABRPGABRDGABRA1GABRB1
SCHEMBL4629874 0.75 KLKB1 (0.44) GRM6MEN1CYP1A2CYP2C9ALOX15
SCHEMBL4015031 0.72 CPB2 (0.53) CPB2GABRPGABRDGABRA1GABRB1
SCHEMBL30963028 0.71 SLC1A5 (0.53) NOS3NOS1NOS2KIF11GRIK1
SCHEMBL8819750 0.71 SLC1A5 (0.53) NOS3NOS1NOS2KIF11GRIK1
SCHEMBL8819746 0.71 SLC1A5 (0.53) NOS3NOS1NOS2KIF11GRIK1
SCHEMBL5322254 0.71 SLC1A5 (0.53) NOS3NOS1NOS2KIF11GRIK1
SCHEMBL24755263 0.71 NOS2 (0.50) CPB2GABRPGABRDGABRA1GABRB1
SCHEMBL4624268 0.71 ARG1 (0.41) CYP1A2KIF11GRIK1GRIA1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483285-B1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2008-05-07 EP claimed
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same CURACYTE AG (DE) 2005-06-02 US claimed
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same CURACYTE AG (DE) 2005-06-02 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-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same SERPINC1, TFPI, F11 CPB2 31/4885GABRP 1756/4885GABRD 3576/4885

“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.