SCHEMBL3160983

SCHEMBL3160983

CC(Oc1ccccc1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.49
CHRNA3 P32297 3/20 0.49
CYP2D6 P10635 6/20 0.45
CYP3A4 P08684 5/20 0.45
CYP2C19 P33261 5/20 0.45
CYP1A2 P05177 4/20 0.45
CYP2C9 P11712 4/20 0.45
KCNA5 P22460 4/20 0.45
KCNH2 Q12809 4/20 0.45
LTA4H P09960 1/20 0.44
KCNE1 P15382 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39

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
SCHEMBL14966522 0.98 CHRNB4 (0.47) CHRNB4CHRNA3CYP2D6CYP3A4CYP2C19
SCHEMBL4322787 0.98 CHRNB4 (0.47) CHRNB4CHRNA3CYP2D6CYP3A4CYP2C19
SCHEMBL6632600 0.89 ALOX15 (0.50) CYP2C19CYP1A2CYP2C9KCNH2LTA4H
SCHEMBL5387820 0.85 CHRNB4 (0.42) CHRNB4CHRNA3CYP2D6CYP2C19CYP1A2
SCHEMBL7451551 0.83 MEN1 (0.50) CHRNB4CHRNA3CYP2D6KCNH2LTA4H
SCHEMBL1989353 0.81 LTA4H (0.36) CHRNB4CHRNA3LTA4HKMT2AMEN1
SCHEMBL1283168 0.81 CHRNB4 (0.33) CHRNB4CHRNA3CYP2D6CYP3A4CYP2C19
SCHEMBL2213888 0.81 LTA4H (0.36) CHRNB4CHRNA3LTA4HKMT2AMEN1
SCHEMBL5388787 0.80 CHRNB4 (0.46) CHRNB4CHRNA3CYP2D6KMT2AMEN1
SCHEMBL5115964 0.79 ALDH1A1 (0.33) CHRNB4CHRNA3CYP2D6CYP3A4CYP2C19

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 CHRNB4 570/4885CHRNA3 325/4885CYP2D6 2280/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 CHRNB4 570/4885CHRNA3 325/4885CYP2D6 2280/4885

“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.