SCHEMBL706631

SCHEMBL706631

CC(C)(C)[Si](C)(C)Oc1ccc2cc(C(CCCN)Cc3ccccc3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 5/20 0.43
CYP2D6 P10635 5/20 0.43
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 5/20 0.43
SLC6A3 Q01959 5/20 0.43
KCNH2 Q12809 3/20 0.43
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA9 Q16790 4/20 0.39
CYP19A1 P11511 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL706630 0.74 SIGMAR1 (0.41) CA12CA1CA9
SCHEMBL3412719 0.74 CA12 (0.40) ALDH1A1CA12CA1CA9PPARG
SCHEMBL708891 0.72 CA12 (0.47) CYP3A4SLC6A2SLC6A3CA12CA1
SCHEMBL12017833 0.70 CA1 (0.59) CA12CA1CA9
SCHEMBL9819816 0.70 HRH1 (0.59) ALDH1A1CYP19A1
SCHEMBL13225545 0.68 CYSLTR2 (0.46) CA12CA1CA9
SCHEMBL6600161 0.67 SLC6A2 (0.44) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3739774 0.66 SLC6A2 (0.65) ALDH1A1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL9819796 0.66 ALDH1A1 (0.55) ALDH1A1CYP19A1
SCHEMBL6362546 0.66 TAAR1 (0.58) CA12CA1CA9

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 ALDH1A1 994/4885CYP3A4 508/4885CYP2D6 444/4885
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B ALDH1A1 1287/4885CYP3A4 719/4885CYP2D6 1272/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B ALDH1A1 1287/4885CYP3A4 719/4885CYP2D6 1272/4885

“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.