SCHEMBL132945

SCHEMBL132945

CCCN1CCN(c2ncc(-c3cc(Cl)cc(Cl)c3Cl)c(N)n2)CC1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.77
KCNK2 O95069 1/20 0.77
PTPN11 Q06124 10/20 0.51
SCN9A Q15858 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
GRM2 Q14416 1/20 0.38
HSP90AB1 P08238 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 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
SCHEMBL7278654 0.94 SCN2A (0.74) SCN2AKCNK2PTPN11SCN9ADRD2
SCHEMBL7273673 0.93 SCN2A (0.67) SCN2AKCNK2PTPN11SCN9A
SCHEMBL7272688 0.91 SCN2A (0.77) SCN2AKCNK2PTPN11SCN9A
Sipatrigine SCHEMBL135888 0.87 SCN2A (1.00) SCN2AKCNK2PTPN11DRD2
Sipatrigine SCHEMBL29421474 0.87 SCN2A (1.00) SCN2AKCNK2PTPN11DRD2
SCHEMBL7271253 0.83 KCNK2 (0.67) SCN2AKCNK2PTPN11GRM2LMNA
SCHEMBL7273370 0.82 SCN2A (0.77) SCN2AKCNK2PTPN11SCN9A
Sipatrigine SCHEMBL5069235 0.81 SCN2A (0.85) SCN2AKCNK2PTPN11SCN9A
SCHEMBL8576787 0.80 SCN2A (0.74) SCN2AKCNK2PTPN11
SCHEMBL134958 0.80 SCN2A (0.74) SCN2AKCNK2PTPN11SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229873-A1 Treatment of neurodegenerative conditions BTG INTERNATIONAL LIMITED (GB) 2004-11-18 US claimed
EP-0459819-B1 Pharmacologically active CNS compound WELLCOME FOUND (GB) 1996-08-14 EP claimed
EP-0459819-A2 Pharmacologically active CNS compound THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-04 EP claimed
US-20140079757-A1 ORAL DRUG DELIVERY FORMULATIONS BROWN RUDNICK LLP 2014-03-20 US disclosed
WO-2012028963-A2 COMPOSITIONS INCLUDING A SODIUM CHANNEL BLOCKER AND A B VITAMIN MOLECULE AND METHODS OF USE THEREOF MS THERAPEUTICS LIMITED (GB) 2012-03-08 WO disclosed
US-20120058097-A1 COMPOSITIONS INCLUDING A SODIUM CHANNEL BLOCKER AND A B VITAMIN MOLECULE AND METHODS OF USE THEREOF MS THERAPEUTICS LIMITED (GB) 2012-03-08 US disclosed
US-20040229873-A1 Treatment of neurodegenerative conditions BTG INTERNATIONAL LIMITED (GB) 2004-11-18 US disclosed
EP-0459819-B1 Pharmacologically active CNS compound WELLCOME FOUND (GB) 1996-08-14 EP disclosed
EP-0679645-A1 Pharmacologically active CNS pyridmidin compounds THE WELLCOME FOUNDATION LIMITED (GB) 1995-11-02 EP disclosed
EP-0459819-A2 Pharmacologically active CNS compound THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-04 EP 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-20120058097-A1 COMPOSITIONS INCLUDING A SODIUM CHANNEL BLOCKER AND A B VITAMIN MOLECULE AND METHODS OF USE THEREOF CACNA1B, KCNMB1, KCNB2 SCN2A 25/4885KCNK2 103/4885PTPN11 3117/4885
US-20040229873-A1 Treatment of neurodegenerative conditions CHRM2, CHRNA3, CHRNA2 SCN2A 63/4885KCNK2 136/4885PTPN11 4876/4885
US-20140079757-A1 ORAL DRUG DELIVERY FORMULATIONS PGF, MMP1, MMP26 SCN2A 4830/4885KCNK2 3641/4885PTPN11 4853/4885

“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.