SCHEMBL3159146

SCHEMBL3159146

N#Cc1cccc(OCC2CCCNC2)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.62
SLC6A4 P31645 7/20 0.62
DRD2 P14416 1/20 0.55
DRD3 P35462 1/20 0.55
SLC6A3 Q01959 4/20 0.52
KDM1A O60341 4/20 0.52
MAP2K1 Q02750 1/20 0.51
KCNH2 Q12809 3/20 0.49
HTR3A P46098 1/20 0.49
EED O75530 1/20 0.49
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
RCOR1 Q9UKL0 1/20 0.43

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
SCHEMBL2301711 0.87 SLC6A4 (0.58) SLC6A2SLC6A4DRD2DRD3SLC6A3
SCHEMBL4238409 0.84 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3KDM1AMAP2K1
SCHEMBL13837634 0.84 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3KDM1AKCNH2
SCHEMBL2267290 0.84 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3KDM1AMAP2K1
SCHEMBL3444195 0.84 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3KDM1AMAP2K1
SCHEMBL3251306 0.83 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3KDM1AKCNH2
Hydrochloric Acid SCHEMBL9555741 0.83 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3KDM1AMAP2K1
SCHEMBL1848360 0.82 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL13107011 0.82 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3MAP2K1EED
SCHEMBL13107014 0.82 EED (0.67) SLC6A2SLC6A4SLC6A3KDM1AMAP2K1

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 12 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-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-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
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 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
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US 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

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 207/4885DRD2 3064/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 SLC6A2 218/4885SLC6A4 207/4885DRD2 3064/4885

“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.