SCHEMBL3160308

SCHEMBL3160308

CN(c1c(F)cccc1F)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.40
HTR1A P08908 3/20 0.38
HTR7 P34969 3/20 0.38
DRD2 P14416 4/20 0.35
DRD3 P35462 4/20 0.35
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MAT2A P31153 1/20 0.32
KCNH2 Q12809 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL30936652 0.79 PABPC1 (0.37) KDM4EALDH1A1SMN1; SMN2
SCHEMBL5479824 0.77 DDB1 (0.40) SLC6A4HTR1AHTR7KDM4ESLC6A2
SCHEMBL11132929 0.74 SLC6A4 (0.39) SLC6A4HTR1AHTR7DRD2DRD3
SCHEMBL1240820 0.71 JAK3 (0.39) KCNH2
SCHEMBL1717738 0.71 DDB1 (0.39) SLC6A4HTR1AHTR7KDM4EALDH1A1
SCHEMBL7697624 0.71 KCNH2 (0.42) KDM4EALDH1A1SMN1; SMN2MAT2AKCNH2
SCHEMBL15006454 0.70 EED (0.44)
SCHEMBL1242081 0.70 JAK1 (0.39) HTR1AHTR7ALDH1A1
SCHEMBL4365727 0.69 HTR2A (0.40) HTR1AHTR7TAAR1RAB9A
SCHEMBL1240970 0.69 POLB (0.37) SLC6A4HTR1AHTR7KDM4EALDH1A1

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 9 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
WO-2010131146-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131147-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO 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

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 SLC6A4 207/4885HTR1A 1665/4885HTR7 1667/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 SLC6A4 207/4885HTR1A 1665/4885HTR7 1667/4885

“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.