SCHEMBL2468618

SCHEMBL2468618

Cc1ccc(CCNC(=O)C2(c3ccccc3)CCN(C(=O)CCc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.54
CHRM3 P20309 1/20 0.54
GFER P55789 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
PLAAT3 P53816 2/20 0.46
PLAAT5 Q96KN8 2/20 0.46
PLAAT2 Q9NWW9 2/20 0.46
PLAAT4 Q9UL19 2/20 0.46
OPRL1 P41146 2/20 0.45
EPHX2 P34913 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR183 P32249 1/20 0.44
EPHX1 P07099 1/20 0.44
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
NPC1 O15118 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL2517917 0.92 OPRL1 (0.54) CHRM5CHRM3GFEROPRL1EPHX2
SCHEMBL2517627 0.92 CHRM5 (0.54) CHRM5CHRM3GFERTAAR1PLAAT3
SCHEMBL2468459 0.92 CHRM5 (0.50) CHRM5CHRM3GFERTAAR1PLAAT3
SCHEMBL2492390 0.91 CHRM5 (0.51) CHRM5CHRM3GFERTAAR1PLAAT3
SCHEMBL2472649 0.90 CHRM5 (0.52) CHRM5CHRM3GFERTAAR1PLAAT3
SCHEMBL2471734 0.90 EPHX2 (0.53) CHRM5CHRM3GFERTAAR1PLAAT3
SCHEMBL2470510 0.90 CHRM5 (0.46) CHRM5CHRM3GFERTAAR1PLAAT3
SCHEMBL2470375 0.89 CHRM5 (0.49) CHRM5CHRM3GFERTAAR1PLAAT3
SCHEMBL13688315 0.88 CHRM5 (0.60) CHRM5CHRM3GFEROPRL1EPHX2
SCHEMBL2471846 0.88 CHRM5 (0.50) CHRM5CHRM3GFERTAAR1PLAAT3

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-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 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 CHRM5 676/4885CHRM3 1015/4885GFER 1562/4885

“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.