SCHEMBL3166445

SCHEMBL3166445

Fc1cccc(CNC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
CCNE2 O96020 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
KDM1A O60341 2/20 0.44
MPO P05164 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
SLC6A2 P23975 1/20 0.43
HRH2 P25021 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
FFAR1 O14842 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
SRC P12931 1/20 0.42
MIF P14174 1/20 0.42
APP P05067 1/20 0.41

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
SCHEMBL10294063 0.82 TAAR1 (0.50) TAAR1IDO1AGXTKDM1AMPO
SCHEMBL14612436 0.79 TAAR1 (0.54) TAAR1IDO1AGXTKDM1AMPO
SCHEMBL3159509 0.78 CHRM2 (0.53) TAAR1IDO1AGXT
SCHEMBL25588040 0.77 TAAR1 (0.52) TAAR1IDO1AGXTKDM1AMPO
SCHEMBL40001 0.76 IDO1 (0.48) IDO1MAOA
Hydrochloric Acid SCHEMBL5391190 0.76 ATM (0.48) TAAR1IDO1AGXTCCNE2CCNE1
SCHEMBL24870836 0.75 TAAR1 (0.50) TAAR1IDO1AGXTKDM1AMPO
SCHEMBL31612206 0.75 CYP3A4 (0.59) TAAR1IDO1AGXTKDM1AMPO
SCHEMBL20804366 0.75 MPO (0.54) TAAR1IDO1AGXTKDM1AMPO
SCHEMBL30009921 0.75 TAAR1 (0.66) TAAR1IDO1AGXTMPOSCN8A

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 6 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

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 TAAR1 2610/4885IDO1 2615/4885AGXT 4150/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 TAAR1 2610/4885IDO1 2615/4885AGXT 4150/4885

“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.