SCHEMBL2222708

SCHEMBL2222708

NCCCc1c(F)cccc1Cl

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.78
GAA P10253 1/20 0.52
BACE1 P56817 1/20 0.49
DAO P14920 1/20 0.46
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2A13 Q16696 1/20 0.44
CNR1 P21554 1/20 0.43
PKM P14618 1/20 0.43
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL1197584 0.88 TAAR1 (1.00) TAAR1GAABACE1DAOSMN1; SMN2
SCHEMBL3294883 0.87 TAAR1 (0.74) TAAR1GAABACE1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL3466920 0.86 TAAR1 (0.96) TAAR1GAABACE1DAOSMN1; SMN2
Hydrochloric Acid SCHEMBL14829818 0.85 TAAR1 (0.71) TAAR1GAAKMT2ASMN1; SMN2MEN1
SCHEMBL5734084 0.85 TAAR1 (0.54) TAAR1GAADAO
SCHEMBL3455236 0.83 TAAR1 (0.77) TAAR1GAABACE1DAOKMT2A
SCHEMBL3761954 0.82 TAAR1 (0.63) TAAR1GAABACE1DAOKMT2A
SCHEMBL14959685 0.82 TAAR1 (0.63) TAAR1GAABACE1DAOKMT2A
SCHEMBL2199784 0.82 TAAR1 (0.63) TAAR1GAABACE1DAOKMT2A
SCHEMBL113076 0.81 TAAR1 (0.73) TAAR1GAABACE1KMT2ASMN1; SMN2

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
EP-2729149-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2014-05-14 EP disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO disclosed
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 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-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B TAAR1 2156/4885GAA 2499/4885BACE1 1899/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 TAAR1 2160/4885GAA 1691/4885BACE1 2186/4885

“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.