SCHEMBL1457331

SCHEMBL1457331

CC(NN1CCC(C(=N)N)CC1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.38
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL1457333 1.00 NOS2 (0.38) NOS2CPN1CPB2SMN1; SMN2ITGB3
SCHEMBL4629222 0.82 NOS2 (0.35) NOS2CPN1CPB2KMT2A
SCHEMBL4629218 0.82 NOS2 (0.35) NOS2CPN1CPB2KMT2A
SCHEMBL7403657 0.81 ALDH1A1 (0.33) CPN1CPB2SMN1; SMN2ITGB3ITGA2B
SCHEMBL7403659 0.81 ALDH1A1 (0.33) CPN1CPB2SMN1; SMN2ITGB3ITGA2B
SCHEMBL23933724 0.78 ALDH1A1 (0.43) SMN1; SMN2MEN1KMT2APOLB
SCHEMBL385711 0.73 L3MBTL1 (0.36) SMN1; SMN2POLB
SCHEMBL385712 0.73 L3MBTL1 (0.36) SMN1; SMN2POLB
SCHEMBL383047 0.71 L3MBTL1 (0.39) MEN1KMT2A
SCHEMBL383046 0.71 L3MBTL1 (0.39) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090658-B2 Base-substituted benzylamine analogs for use as coagulation factor Xa inhibitors, the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2015-07-28 US disclosed
EP-1664089-B1 BASE-SUBSTITUTED BENZYLAMINE ANALOGS FOR USE AS COAGULATION FACTOR XA INHIBITORS, THE PRODUCTION AND USE THEREOF MEDICINES CO LEIPZIG GMBH (DE) 2011-11-16 EP disclosed
US-20110264218-A1 INTERVERTEBRAL BODY IMPLANT, INSTRUMENT AND METHOD SPINECRAFT, LLC, A LIMITED LIABILITY COMPANY IN DELAWARE 2011-10-27 US disclosed
EP-2292640-A2 Base-substituted benzylamine analogs for use as coagulation factor Xa inhibitors, the production and use thereof The Medicines Company (Leipzig) GmbH (DE) 2011-03-09 EP disclosed
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-20070066539-A1 Base-substituted benzylamine analogs for use as coagulation factor xa inhibitors, the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2007-03-22 US disclosed
EP-1664089-A1 BASE-SUBSTITUTED BENZYLAMINE ANALOGS FOR USE AS COAGULATION FACTOR XA INHIBITORS, THE PRODUCTION AND USE THEREOF Curacyte Chemistry GmbH (DE) 2006-06-07 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
WO-2005026198-A1 BASE-SUBSTITUTED BENZYLAMINE ANALOGS FOR USE AS COAGULATION FACTOR XA INHIBITORS, THE PRODUCTION AND USE THEREOF CURACYTE CHEMISTRY GMBH (DE) 2005-03-24 WO 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 (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-20070066539-A1 Base-substituted benzylamine analogs for use as coagulation factor xa inhibitors, the production and use thereof F12, F2, F11 NOS2 2795/4885CPN1 542/4885CPB2 20/4885
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same SERPINC1, TFPI, F11 NOS2 3162/4885CPN1 432/4885CPB2 31/4885

“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.