SCHEMBL3158944

SCHEMBL3158944

Cc1ccccc1OC1CCC[N]1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.43
SLC6A4 P31645 15/20 0.43
SLC6A3 Q01959 13/20 0.43
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
CYP2D6 P10635 3/20 0.36
NISCH Q9Y2I1 1/20 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
SCHEMBL3174760 0.79 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL2092663 0.75 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL1830085 0.74 HRH1 (0.41) SLC6A2SLC6A4SLC6A3TSHRRAB9A
SCHEMBL11539838 0.72 MEN1 (0.42) SLC6A2SLC6A4SLC6A3MEN1RAB9A
SCHEMBL13696497 0.72 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KMT2AALDH1A1
SCHEMBL7701922 0.72 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2088693 0.71 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3MEN1NPC1
SCHEMBL10035281 0.71 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3ALDH1A1GLA
SCHEMBL3554168 0.71 SCD (0.41) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL10525480 0.71 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 WO 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 (2 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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 SLC6A2 218/4885SLC6A4 207/4885SLC6A3 248/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 SLC6A2 218/4885SLC6A4 207/4885SLC6A3 248/4885

“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.