SCHEMBL3170242

SCHEMBL3170242

Cc1nccc(C2CCCN2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.44
CHRM5 P08912 5/20 0.44
CHRM3 P20309 5/20 0.44
CHRM4 P08173 4/20 0.44
CHRM1 P11229 4/20 0.44
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
CHRNA7 P36544 2/20 0.44
TAAR1 Q96RJ0 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 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
SCHEMBL8222078 0.81 CREBBP (0.41) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL12500190 0.81 CREBBP (0.41) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL28697920 0.81 MEN1 (0.44) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL22638941 0.81 MEN1 (0.44) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL28639095 0.78 CHRM2 (0.42) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL24074676 0.76 CHRNB2 (0.41) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL3329158 0.76 CHRM2 (0.44) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL24581796 0.76 CHRM2 (0.44) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL30361436 0.76 CHRM2 (0.44) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL15587845 0.76 MAP3K12 (0.54) CHRM2CHRM3

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 11 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
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
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 CHRM2 3000/4885CHRM5 1791/4885CHRM3 1519/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 CHRM2 3000/4885CHRM5 1791/4885CHRM3 1519/4885

“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.