SCHEMBL705363

SCHEMBL705363

NCCCCc1ccc(OCCCNC(=O)O)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTR1B P28222 1/20 0.40
MTNR1B P49286 2/20 0.39
MTNR1A P48039 1/20 0.39
BACE1 P56817 1/20 0.39
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MCL1 Q07820 1/20 0.38
NMBR P28336 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
SSTR2 P30874 1/20 0.37
SSTR4 P31391 1/20 0.37

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
SCHEMBL707901 0.84 CA12 (0.46) SLC2A1
SCHEMBL10110705 0.78 SLC2A1 (0.51) SLC2A1KMT2AHTR1BL3MBTL1SSTR2
SCHEMBL15142696 0.73 HRH1 (0.48) KMT2AKDM4EALDH1A1HPGDMTNR1B
SCHEMBL10110708 0.72 SLC2A1 (0.52) SLC2A1ALDH1A1MTNR1BMTNR1AL3MBTL1
SCHEMBL17537736 0.72 MAOA (0.54) HTR1B
SCHEMBL709198 0.71 CYP1A2 (0.52) KMT2AKDM4EHTR1B
SCHEMBL8030998 0.71 MTNR1A (0.67) MTNR1BMTNR1AL3MBTL1
SCHEMBL17537992 0.70 MAOA (0.52)
SCHEMBL17537990 0.70 MAOA (0.52)
SCHEMBL17537722 0.70 MAOA (0.52)

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-2257296-B1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2014-05-07 EP disclosed
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8575176-B2 Heteroaromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2012-05-10 US disclosed
US-8124607-B2 Poly aromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2012-02-28 US disclosed
EP-2257296-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2010-12-08 EP disclosed
WO-2009139948-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS JOHNSON MICHAEL R (US) 2009-11-19 WO disclosed
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-08-27 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 (3 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-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS HCN4, SCN2B, KCNH1 SLC2A1 1218/4885KMT2A 1557/4885KDM4E 3151/4885
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SLC2A1 2461/4885KMT2A 1510/4885KDM4E 2068/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SLC2A1 2461/4885KMT2A 1510/4885KDM4E 2068/4885

“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.