SCHEMBL2469740

SCHEMBL2469740

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.48
CHRM5 P08912 1/20 0.46
CHRM3 P20309 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
GFER P55789 1/20 0.45
EPHX2 P34913 1/20 0.44
CHRM4 P08173 1/20 0.44
TP53 P04637 1/20 0.43
MDM2 Q00987 1/20 0.43
PLAAT3 P53816 2/20 0.43
PLAAT5 Q96KN8 2/20 0.43
PLAAT2 Q9NWW9 2/20 0.43
PLAAT4 Q9UL19 2/20 0.43
OPRL1 P41146 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
TSHR P16473 2/20 0.42
FSHR P23945 2/20 0.42
MEN1 O00255 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
SCHEMBL2513103 0.96 CHRM5 (0.49) TACR1CHRM5CHRM3OPRM1OPRD1
SCHEMBL2472277 0.92 TACR1 (0.55) TACR1OPRM1OPRD1OPRK1GFER
SCHEMBL2471846 0.90 CHRM5 (0.50) CHRM5CHRM3OPRM1OPRD1GFER
SCHEMBL2701005 0.88 TACR1 (0.56) TACR1OPRM1OPRD1OPRK1CHRM4
SCHEMBL2469451 0.88 PLAAT3 (0.49) CHRM5CHRM3OPRM1OPRD1GFER
SCHEMBL2468459 0.88 CHRM5 (0.50) CHRM5CHRM3OPRM1OPRD1GFER
SCHEMBL2470187 0.86 TACR1 (0.63) TACR1GFEREPHX2OPRL1
SCHEMBL13688315 0.85 CHRM5 (0.60) CHRM5CHRM3GFEREPHX2OPRL1
SCHEMBL2471543 0.85 PLAAT3 (0.49) CHRM5CHRM3GFEREPHX2PLAAT3
SCHEMBL2492390 0.85 CHRM5 (0.51) CHRM5CHRM3GFEREPHX2PLAAT3

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-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
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 TACR1 3354/4885CHRM5 676/4885CHRM3 1015/4885

“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.