SCHEMBL2468677

SCHEMBL2468677

O=C(CCc1ccc(C(F)(F)F)cc1)N1CCC(Cc2ccccc2)(C(=O)NCc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 1/20 0.48
NR3C2 P08235 1/20 0.45
HRH3 Q9Y5N1 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK14 Q16539 1/20 0.44
MC4R P32245 1/20 0.43
YAP1 P46937 1/20 0.43
CNR1 P21554 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
MLYCD O95822 1/20 0.43
NPC1 O15118 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
CYP3A4 P08684 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
SCHEMBL2468456 0.98 FFAR1 (0.49) FFAR1FFAR4NR3C2MEN1KMT2A
SCHEMBL2472762 0.95 FFAR1 (0.46) FFAR1FFAR4NR3C2MEN1KMT2A
SCHEMBL14327404 0.94 ALDH1A1 (0.47) FFAR1FFAR4NR3C2MEN1KMT2A
SCHEMBL10254249 0.93 NR3C2 (0.45) FFAR1FFAR4NR3C2HRH3MEN1
SCHEMBL2468628 0.91 MEN1 (0.47) FFAR1FFAR4NR3C2MEN1KMT2A
SCHEMBL2471521 0.91 PLA2G1B (0.44) FFAR1FFAR4NR3C2HRH3MEN1
SCHEMBL2468663 0.90 GFER (0.48) NR3C2HRH3KMT2AMC4RYAP1
SCHEMBL2471243 0.90 PLAAT3 (0.46) FFAR1FFAR4MEN1KMT2AMC4R
SCHEMBL2473017 0.89 MC4R (0.45) FFAR1FFAR4NR3C2MEN1KMT2A
SCHEMBL2469081 0.85 NPC1 (0.55) FFAR1MEN1KMT2ANPC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
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
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-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
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 US disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 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 (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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 FFAR1 2199/4885FFAR4 2755/4885NR3C2 4461/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 FFAR1 2199/4885FFAR4 2755/4885NR3C2 4461/4885

“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.