SCHEMBL4629882

SCHEMBL4629882

Cc1cc(N)nc(C)c1CC(N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 6/20 0.47
GRIA3 P42263 6/20 0.47
GRIA2 P42262 5/20 0.43
GRIA4 P48058 5/20 0.43
KLKB1 P03952 3/20 0.43
MAPT P10636 2/20 0.41
GRIK1 P39086 2/20 0.41
GRIK5 Q16478 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIK2 Q13002 1/20 0.41
GRIK3 Q13003 1/20 0.41
GRIK4 Q16099 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4629874 0.85 KLKB1 (0.44) KLKB1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL17340412 0.82 GRIA1 (0.49) GRIA1GRIA3GRIA2GRIA4MAPT
SCHEMBL287394 0.76 SLC7A5 (0.50) GRIA1GRIA3GRIA2GRIA4MAPT
SCHEMBL5875624 0.76 SLC7A5 (0.50) GRIA1GRIA3GRIA2GRIA4MAPT
SCHEMBL17229289 0.76 NOS2 (0.50) KLKB1
SCHEMBL287393 0.76 SLC7A5 (0.50) GRIA1GRIA3GRIA2GRIA4MAPT
SCHEMBL38374 0.75 SLC7A5 (0.50) MAPTMEN1ALDH1A1CYP2C9KMT2A
SCHEMBL296690 0.75 SLC7A5 (0.50) MAPTMEN1ALDH1A1CYP2C9KMT2A
SCHEMBL10608422 0.75 SLC7A5 (0.50) MAPTMEN1ALDH1A1CYP2C9KMT2A
SCHEMBL17442604 0.74 KLKB1 (0.57) KLKB1

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 8 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
EP-1483285-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME Curacyte AG (DE) 2004-12-08 EP claimed
WO-2003076457-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2003-09-18 WO claimed
EP-1483285-B1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2008-05-07 EP disclosed
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
EP-1483285-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME Curacyte AG (DE) 2004-12-08 EP disclosed
WO-2003076457-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2003-09-18 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 (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 GRIA1 3958/4885GRIA3 4308/4885GRIA2 4279/4885

“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.