SCHEMBL2473558

SCHEMBL2473558

O=C(CC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1)NCCc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.46
OPRD1 P41143 6/20 0.45
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
GRIN2B Q13224 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TP53 P04637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
OPRK1 P41145 1/20 0.42
KDM1A O60341 1/20 0.42
ALDH1A1 P00352 1/20 0.41
OPRM1 P35372 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2493317 0.91 RORC (0.46) MCHR1OPRD1CHRM5CHRM1CHRM3
SCHEMBL2496581 0.90 MEN1 (0.47) MCHR1OPRD1CHRM5CHRM1CHRM3
SCHEMBL2474015 0.88 TACR1 (0.49) MCHR1CHRM5CHRM1CHRM3
SCHEMBL2468007 0.86 MCHR1 (0.45) MCHR1OPRD1TAAR1HDAC3HDAC1
SCHEMBL2703381 0.85 CHRM5 (0.46) OPRD1CHRM5CHRM1CHRM3GRIN2B
SCHEMBL2470260 0.85 KDM1A (0.48) OPRD1CHRM5CHRM1CHRM3GRIN2B
SCHEMBL2469394 0.83 CA1 (0.50) MCHR1OPRD1GRIN2BHDAC3HDAC1
SCHEMBL2469454 0.82 CA1 (0.53) MCHR1OPRD1GRIN2BHDAC3HDAC1
SCHEMBL2496184 0.79 METAP2 (0.45) MCHR1OPRD1CHRM3GRIN2BHDAC3
SCHEMBL2702938 0.79 CHRM5 (0.47) CHRM5CHRM1CHRM3TP53ALDH1A1

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 15 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-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-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
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 MCHR1 3383/4885OPRD1 2240/4885CHRM5 676/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 MCHR1 3383/4885OPRD1 2240/4885CHRM5 676/4885

“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.