SCHEMBL3158663

SCHEMBL3158663

N#Cc1cccc(OC2CCCNC2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.60
SLC6A3 Q01959 3/20 0.60
SLC6A4 P31645 3/20 0.60
DRD2 P14416 1/20 0.57
DRD3 P35462 1/20 0.57
CHRNB2 P17787 2/20 0.55
CHRNA4 P43681 2/20 0.55
ROCK1 Q13464 6/20 0.50
ROCK2 O75116 2/20 0.47
PRKX P51817 1/20 0.47
PRKCE Q02156 1/20 0.47
PRKCD Q05655 1/20 0.47
PRKD1 Q15139 1/20 0.47
KCNH2 Q12809 1/20 0.46
CHEK1 O14757 2/20 0.45

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
SCHEMBL12184676 0.86 SLC6A4 (0.64) SLC6A2SLC6A3SLC6A4DRD2DRD3
SCHEMBL6496199 0.85 SLC6A2 (0.66) SLC6A2SLC6A3SLC6A4
SCHEMBL26049997 0.85 SLC6A2 (0.66) SLC6A2SLC6A3SLC6A4DRD2DRD3
SCHEMBL11466711 0.82 DRD2 (0.53) SLC6A2SLC6A3SLC6A4DRD2DRD3
SCHEMBL15649004 0.82 HRH3 (0.53) CHRNB2CHRNA4ROCK1ROCK2PRKX
SCHEMBL940415 0.82 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4DRD2DRD3
SCHEMBL1409317 0.81 SLC6A2 (0.69) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL69675 0.81 SLC6A2 (0.65) SLC6A2SLC6A3SLC6A4DRD2DRD3
SCHEMBL14017656 0.81 CHRNB2 (0.58) SLC6A2CHRNB2CHRNA4ROCK1ROCK2
SCHEMBL23745914 0.79 CHRNB2 (0.57) SLC6A2SLC6A3SLC6A4CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2909170-A1 SUBSTITUTED CARBAMATE COMPOUNDS AND THEIR USE AS TRANSIENT RECEPTOR POTENTIAL (TRP) CHANNEL ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2015-08-26 EP disclosed
US-20150218141-A1 SUBSTITUTED CARBAMATE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-08-06 US disclosed
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
WO-2014060341-A1 SUBSTITUTED CARBAMATE COMPOUNDS AND THEIR USE AS TRANSIENT RECEPTOR POTENTIAL (TRP) CHANNEL ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 WO 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 (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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 SLC6A2 218/4885SLC6A3 248/4885SLC6A4 207/4885
US-20150218141-A1 SUBSTITUTED CARBAMATE COMPOUNDS TRPA1, TRPV1, TRPV3 SLC6A2 1771/4885SLC6A3 795/4885SLC6A4 948/4885
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.