SCHEMBL3159509

SCHEMBL3159509

FC(F)(F)NCc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.53
PNMT P11086 2/20 0.48
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TAAR1 Q96RJ0 2/20 0.46
FABP4 P15090 1/20 0.46
EPHX2 P34913 1/20 0.45
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
HDAC1 Q13547 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL10294061 0.81 CHRM2 (0.53) CHRM2PNMTCYP3A4CYP1A2CYP2D6
SCHEMBL30656906 0.79 CHRM2 (0.60) CHRM2PNMTCYP3A4CYP1A2CYP2D6
SCHEMBL27908406 0.79 CHRM2 (0.60) CHRM2PNMTCYP3A4CYP1A2CYP2D6
SCHEMBL3166445 0.78 TAAR1 (0.47) TAAR1IDO1AGXT
SCHEMBL7066938 0.77 CHRM2 (0.74) CHRM2PNMTCYP3A4CYP1A2CYP2D6
SCHEMBL29577338 0.75 PNMT (0.52) CHRM2PNMTCYP3A4TAAR1IDO1
SCHEMBL40001 0.74 IDO1 (0.48) CHRM2CYP3A4IDO1
SCHEMBL11621314 0.74 CHRM2 (0.55) CHRM2PNMTCYP3A4CYP1A2CYP2D6
SCHEMBL141066 0.74 TP53 (0.51) CHRM2FABP4EPHX2
SCHEMBL1383840 0.74 CHRM2 (0.58) CHRM2PNMTCYP3A4CYP1A2CYP2D6

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 CHRM2 3000/4885PNMT 2010/4885CYP3A4 2927/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 CHRM2 3000/4885PNMT 2010/4885CYP3A4 2927/4885

“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.