SCHEMBL3160302

SCHEMBL3160302

NC(c1c(F)cccc1F)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM1A O60341 2/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KDM1B Q8NB78 1/20 0.32
IDH1 O75874 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
IDO1 P14902 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
SCHEMBL31521386 0.87 ALDH1A1 (0.40) EPHX1ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL2676471 0.77 MEN1 (0.42) CES2CES1MEN1ALDH1A1CYP3A4
SCHEMBL5482781 0.77 MEN1 (0.42) CES2CES1MEN1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL16292824 0.75 IDO1 (0.42) CES2CES1MEN1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL14862500 0.75 IDO1 (0.42) CES2CES1MEN1ALDH1A1CYP3A4
SCHEMBL31521383 0.75 PDCD1LG2 (0.42) EPHX1ALDH1A1CYP3A4OPRM1OPRD1
SCHEMBL31521342 0.75 PDCD1LG2 (0.42) EPHX1ALDH1A1CYP3A4OPRM1OPRD1
SCHEMBL31521318 0.75 PDCD1LG2 (0.42) EPHX1ALDH1A1CYP3A4OPRM1OPRD1
SCHEMBL3717829 0.74 PDE2A (0.43) EPHX1DRD2DRD3CES2CES1
SCHEMBL20256245 0.71 CES2 (0.41) CES2CES1CYP3A4HTR2CIDO1

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 14 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-2010131147-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131147-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO 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-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131146-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
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 EPHX1 1570/4885DRD2 3064/4885DRD3 3248/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 EPHX1 1570/4885DRD2 3064/4885DRD3 3248/4885

“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.