SCHEMBL2469451

SCHEMBL2469451

O=C(CCc1ccc(F)cc1)N1CCC(C(=O)NCCc2cccc(Cl)c2)(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 3/20 0.49
PLAAT5 Q96KN8 3/20 0.49
PLAAT2 Q9NWW9 3/20 0.49
PLAAT4 Q9UL19 3/20 0.49
CHRM5 P08912 1/20 0.48
CHRM3 P20309 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
GFER P55789 1/20 0.47
EPHX2 P34913 2/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
EPHX1 P07099 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
F2 P00734 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
SCHEMBL2469668 0.95 PLAAT3 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4CHRM5
SCHEMBL14327377 0.92 PLAAT3 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4CHRM5
SCHEMBL2471846 0.92 CHRM5 (0.50) PLAAT3PLAAT5PLAAT2PLAAT4CHRM5
SCHEMBL2471734 0.92 EPHX2 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4CHRM5
SCHEMBL2471543 0.90 PLAAT3 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4CHRM5
SCHEMBL2468459 0.89 CHRM5 (0.50) PLAAT3PLAAT5PLAAT2PLAAT4CHRM5
SCHEMBL2469740 0.88 TACR1 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4CHRM5
SCHEMBL10252957 0.87 PLAAT3 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4CHRM5
SCHEMBL2471157 0.87 GFER (0.52) CHRM5CHRM3OPRM1OPRD1GFER
SCHEMBL13688315 0.86 CHRM5 (0.60) CHRM5CHRM3GFEREPHX2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US 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 (1 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-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 PLAAT3 2175/4885PLAAT5 838/4885PLAAT2 1625/4885

“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.