SCHEMBL2408770

SCHEMBL2408770

NCCCOCCCCCCCCCCOCCCN

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 1/20 0.50
DNM1 Q05193 4/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
BLM P54132 1/20 0.47
NFKB1 P19838 1/20 0.40
CYP3A4 P08684 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
Ethylenediamine SCHEMBL10792600 1.00 ODC1 (0.50) ODC1DNM1CA12CA1CA2
SCHEMBL1344404 1.00 ODC1 (0.50) ODC1DNM1CA12CA1CA2
SCHEMBL2311533 1.00 ODC1 (0.50) ODC1DNM1CA12CA1CA2
SCHEMBL816340 1.00 ODC1 (0.50) ODC1DNM1CA12CA1CA2
SCHEMBL8658323 0.97 DNM1 (0.53) ODC1DNM1CA12CA1CA2
SCHEMBL1733699 0.97 DNM1 (0.53) ODC1DNM1CA12CA1CA2
SCHEMBL7112669 0.97 DNM1 (0.53) ODC1DNM1CA12CA1CA2
SCHEMBL7111736 0.97 DNM1 (0.53) ODC1DNM1CA12CA1CA2
SCHEMBL6010209 0.97 DNM1 (0.53) ODC1DNM1CA12CA1CA2
SCHEMBL11284295 0.97 DNM1 (0.53) ODC1DNM1CA12CA1CA2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110210407-A1 DOUBLE-FACED ADHESIVE FILM AND ELECTRONIC COMPONENT MODULE USING SAME HITACHI CHEMICAL COMPANY, LTD. (JP) 2011-09-01 US disclosed
US-20100167073-A1 ADHESIVE FILM AND SEMICONDUCTOR DEVICE USING SAME HITACHI CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 US disclosed
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 US disclosed
US-20090111737-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2009-04-30 US disclosed
US-7456203-B2 Muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US disclosed
US-7456203-B2 Muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US disclosed
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-10-30 US disclosed
US-7427639-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2008-09-23 US disclosed
EP-1918341-A1 ADHESIVE FILM AND SEMICONDUCTOR DEVICE USING SAME HITACHI CHEMICAL COMPANY, LTD. (JP) 2008-05-07 EP disclosed
US-20070154948-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-07-05 US disclosed
US-20070134729-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-06-14 US disclosed
US-7217738-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-15 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed
US-7179794-B2 Multivalent macrolide antibiotics THERAVANCE, INC. (US) 2007-02-20 US disclosed
US-7179794-B2 Multivalent macrolide antibiotics THERAVANCE, INC. (US) 2007-02-20 US disclosed
US-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 US disclosed
US-6479498-B1 COMPRISE 2-10 SODIUM CHANNEL LIGANDS COVALENTLY CONNECTED BY A LINKER OR LINKERS THERAVANCE, INC. 2002-11-12 US disclosed
US-6420354-B1 Sodium channel drugs and uses ADVANCED MEDICINE, INC. 2002-07-16 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 (5 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-20070134729-A1 Novel antibacterial agents ENGASE, PGLS, PEPD ODC1 899/4885DNM1 2876/4885CA12 2266/4885
US-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 ODC1 1203/4885DNM1 1272/4885CA12 2548/4885
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2B ODC1 4595/4885DNM1 3001/4885CA12 4440/4885
US-20070154948-A1 Novel antibacterial agents ENGASE, PGLS, PEPD ODC1 899/4885DNM1 2876/4885CA12 2266/4885
US-20090111737-A1 Novel antibacterial agents ENGASE, PGLS, PEPD ODC1 899/4885DNM1 2876/4885CA12 2266/4885

“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.