SCHEMBL3169192

SCHEMBL3169192

N#Cc1cccc(OC2CCCC[N]2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.50
SLC6A3 Q01959 3/20 0.50
SLC6A4 P31645 3/20 0.50
MGLL Q99685 3/20 0.43
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
CHRM4 P08173 1/20 0.37
KMT2A Q03164 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
GPR6 P46095 1/20 0.36
VCP P55072 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
SCHEMBL6496199 0.79 SLC6A2 (0.66) SLC6A2SLC6A3SLC6A4MGLLHRH1
SCHEMBL3160187 0.78 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4MGLLHRH1
SCHEMBL3168321 0.78 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4KMT2A
SCHEMBL1828238 0.76 HRH1 (0.40) SLC6A2SLC6A3SLC6A4HRH1VCP
SCHEMBL26049997 0.75 SLC6A2 (0.66) SLC6A2SLC6A3SLC6A4MGLLHRH1
SCHEMBL1409317 0.75 SLC6A2 (0.69) SLC6A2SLC6A3SLC6A4MGLLHRH1
SCHEMBL11070013 0.75 HRH1 (0.39) SLC6A2SLC6A3SLC6A4HRH1VCP
SCHEMBL3121581 0.75 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4MGLLHRH1
SCHEMBL2090732 0.74 SMN1; SMN2 (0.42) SLC6A2SLC6A4
SCHEMBL2088834 0.74 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4MGLLKMT2A

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 218/4885SLC6A3 248/4885SLC6A4 207/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 SLC6A2 218/4885SLC6A3 248/4885SLC6A4 207/4885

“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.