SCHEMBL2468360

SCHEMBL2468360

CC=CC(=O)N1CCC(C(=O)NCc2ccccc2OC)(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.48
CYP2D6 P10635 3/20 0.46
KMT2A Q03164 3/20 0.46
CHRM5 P08912 1/20 0.45
CHRM3 P20309 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.43
OPRD1 P41143 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP3A4 P08684 1/20 0.42
OPRL1 P41146 1/20 0.42
HTT P42858 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
SCHEMBL2468358 1.00 GRIN2B (0.48) GRIN2BCYP2D6KMT2ACHRM5CHRM3
SCHEMBL10253931 0.91 GRIN2B (0.46) GRIN2BCYP2D6KMT2ACHRM5CHRM3
SCHEMBL2472772 0.91 KMT2A (0.48) KMT2ACHRM5CHRM3PKMMEN1
SCHEMBL2472775 0.91 KMT2A (0.48) KMT2ACHRM5CHRM3PKMMEN1
SCHEMBL13182939 0.89 ALDH1A1 (0.45) KMT2ACHRM5CHRM3TSHRL3MBTL1
SCHEMBL2468362 0.86 CHRM5 (0.58) KMT2ACHRM5CHRM3NPC1RAB9A
SCHEMBL2468363 0.86 CHRM5 (0.58) KMT2ACHRM5CHRM3NPC1RAB9A
SCHEMBL2467179 0.85 ALDH1A1 (0.58) KMT2ACHRM5CHRM3TSHRALDH1A1
SCHEMBL2467182 0.85 ALDH1A1 (0.58) KMT2ACHRM5CHRM3TSHRALDH1A1
SCHEMBL14312680 0.84 GRIN2B (0.47) GRIN2BCYP2D6KMT2APKMTSHR

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 9 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-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-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 GRIN2B 780/4885CYP2D6 1945/4885KMT2A 957/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 GRIN2B 780/4885CYP2D6 1945/4885KMT2A 957/4885

“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.