SCHEMBL2701005

SCHEMBL2701005

O=C(CCc1ccccc1)N1CCC(C(=O)NCc2cccc(C(F)(F)F)c2)(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.56
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
ALDH1A1 P00352 1/20 0.48
OPRM1 P35372 2/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
CHRM4 P08173 1/20 0.45
NPC1 O15118 2/20 0.44
PLA2G1B P04054 1/20 0.44
PKM P14618 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL2472277 0.96 TACR1 (0.55) TACR1FFAR1FFAR4ALDH1A1OPRM1
SCHEMBL13183024 0.95 TACR1 (0.52) TACR1FFAR1FFAR4ALDH1A1OPRM1
SCHEMBL2513103 0.91 CHRM5 (0.49) TACR1FFAR1FFAR4OPRM1OPRD1
SCHEMBL2469154 0.91 TACR1 (0.53) TACR1ALDH1A1OPRM1OPRL1NPC1
SCHEMBL2470187 0.89 TACR1 (0.63) TACR1ALDH1A1OPRL1
SCHEMBL2469740 0.88 TACR1 (0.48) TACR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL2468401 0.86 TACR1 (0.54) TACR1ALDH1A1OPRM1OPRL1KMT2A
SCHEMBL2473046 0.86 TACR1 (0.54) TACR1ALDH1A1OPRM1OPRL1KMT2A
SCHEMBL2468456 0.86 FFAR1 (0.49) FFAR1FFAR4ALDH1A1OPRM1OPRD1
SCHEMBL2469435 0.86 NAAA (0.52) FFAR1FFAR4ALDH1A1OPRM1OPRL1

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 claimed
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-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 TACR1 3354/4885FFAR1 2199/4885FFAR4 2755/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 TACR1 3354/4885FFAR1 2199/4885FFAR4 2755/4885

“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.