SCHEMBL4171933

SCHEMBL4171933

NC(c1cccc(C(F)(F)F)c1F)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
PNMT P11086 1/20 0.37
NOTUM Q6P988 1/20 0.36
EPHX2 P34913 1/20 0.36
P2RX7 Q99572 1/20 0.36
KDM1A O60341 1/20 0.35
MPL P40238 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35

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
SCHEMBL24801386 0.78 IDO1 (0.54) IDO1TDO2PNMTEPHX2P2RX7
SCHEMBL14047814 0.76 IDO1 (0.40) IDO1TDO2NOTUMEPHX2P2RX7
SCHEMBL29845425 0.75 IDO1 (0.51) IDO1TDO2PNMTEPHX2P2RX7
SCHEMBL4234796 0.75 IDO1 (0.51) IDO1TDO2PNMTEPHX2P2RX7
SCHEMBL29656429 0.75 IDO1 (0.51) IDO1TDO2PNMTEPHX2P2RX7
SCHEMBL4550765 0.75 IDO1 (0.51) IDO1TDO2PNMTEPHX2P2RX7
SCHEMBL14120782 0.75 IDO1 (0.51) IDO1TDO2PNMTEPHX2P2RX7
Hydrochloric Acid SCHEMBL2716131 0.74 IDO1 (0.54) IDO1TDO2PNMTEPHX2P2RX7
Hydrochloric Acid SCHEMBL25358651 0.74 IDO1 (0.54) IDO1TDO2PNMTEPHX2P2RX7
Hydrochloric Acid SCHEMBL29663103 0.74 IDO1 (0.54) IDO1TDO2PNMTEPHX2P2RX7

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 8 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
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
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 IDO1 2615/4885TDO2 3300/4885PNMT 2010/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 IDO1 2615/4885TDO2 3300/4885PNMT 2010/4885

“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.