SCHEMBL13801178

SCHEMBL13801178

c1cc(CC2CCCCN2)ncn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
HRH3 Q9Y5N1 3/20 0.48
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LTA4H P09960 6/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
AKT1 P31749 1/20 0.37

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
SCHEMBL2109274 0.79 POLB (0.58) POLBHRH3CYP1A2CYP3A4CYP2D6
SCHEMBL25281271 0.78 POLB (0.57) POLBHRH3CYP1A2CYP3A4CYP2D6
SCHEMBL2112225 0.77 POLB (0.69) POLBHRH3CHRNB4CHRNA3
SCHEMBL13620123 0.74 POLB (0.51) POLBCHRNB4CHRNA3LTA4HCHRNB2
SCHEMBL1484948 0.74 POLB (0.51) POLBCHRNB4CHRNA3LTA4HCHRNB2
SCHEMBL30931485 0.74 POLB (0.51) POLBCHRNB4CHRNA3LTA4HCHRNB2
SCHEMBL1484949 0.74 POLB (0.51) POLBCHRNB4CHRNA3LTA4HCHRNB2
SCHEMBL28502029 0.72 GBA1 (0.44) HRH3
SCHEMBL7888316 0.72 PIK3C3 (0.38)
SCHEMBL13679312 0.71 POLB (0.61) POLBHRH3CHRNB4CHRNA3AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 POLB 4435/4885HRH3 1068/4885CHRNB4 570/4885

“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.