SCHEMBL813231

SCHEMBL813231

CCc1cccc(CC)c1NCCNCCNc1c(CC)cccc1CC.[Ni]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 4/20 0.43
CACNA1C Q13936 3/20 0.43
KCNH2 Q12809 2/20 0.43
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
CLCN2 P51788 1/20 0.39
HTT P42858 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
NLRP3 Q96P20 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL815599 0.96 SCN5A (0.43) SCN5ACACNA1CKCNH2GABRA1GABRB2
SCHEMBL813828 0.96 SCN5A (0.43) SCN5ACACNA1CKCNH2GABRA1GABRB2
Hydrochloric Acid SCHEMBL814125 0.94 SCN5A (0.42) SCN5ACACNA1CKCNH2GABRA1GABRB2
Hydrochloric Acid SCHEMBL813388 0.94 SCN5A (0.42) SCN5ACACNA1CKCNH2GABRA1GABRB2
Bromide SCHEMBL813262 0.94 SCN5A (0.42) SCN5ACACNA1CKCNH2GABRA1GABRB2
Hydrochloric Acid SCHEMBL813513 0.94 SCN5A (0.42) SCN5ACACNA1CKCNH2GABRA1GABRB2
Hydrochloric Acid SCHEMBL816113 0.94 SCN5A (0.42) SCN5ACACNA1CKCNH2GABRA1GABRB2
SCHEMBL5839292 0.91 SCN5A (0.48) SCN5ACACNA1CKCNH2GABRA1GABRB2
Bromide SCHEMBL820818 0.87 KCNH2 (0.38) SCN5ACACNA1CKCNH2GABRA1GABRB2
Hydrochloric Acid SCHEMBL813242 0.87 KCNH2 (0.38) SCN5ACACNA1CKCNH2GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066776-A1 Catalyst composition II SOLAN GREGORY A 2007-03-22 US claimed
US-7189791-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-03-13 US claimed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 US claimed
US-8058372-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-11-15 US disclosed
US-20080319147-A1 Catalyst Composition II EXXONMOBIL CHEMICAL PATENTS INC. 2008-12-25 US disclosed
US-7371803-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-05-13 US disclosed
US-20070066776-A1 Catalyst composition II SOLAN GREGORY A 2007-03-22 US disclosed
US-7189791-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-03-13 US disclosed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 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 (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-20040266961-A1 Catalyst composition II MLX, CBX2, BMX SCN5A 2784/4885CACNA1C 767/4885KCNH2 1889/4885

“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.