SCHEMBL2468545

SCHEMBL2468545

COc1ccc(CNC(=O)C2(c3ccccc3)CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
OPRD1 P41143 1/20 0.56
KCNH2 Q12809 1/20 0.56
GHSR Q92847 3/20 0.56
CHRM5 P08912 1/20 0.54
CHRM3 P20309 1/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
GPR183 P32249 1/20 0.53
MAPK1 P28482 2/20 0.50
PKM P14618 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL2473451 0.94 MEN1 (0.59) ALDH1A1SMN1; SMN2OPRD1KCNH2GHSR
SCHEMBL2470378 0.91 CHRM5 (0.68) ALDH1A1SMN1; SMN2OPRD1KCNH2GHSR
SCHEMBL2470337 0.88 LMNA (0.55) ALDH1A1SMN1; SMN2GHSRKMT2AMEN1
SCHEMBL2471347 0.88 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2OPRD1KCNH2GHSR
SCHEMBL2471715 0.87 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2OPRD1KCNH2GHSR
SCHEMBL14312521 0.86 GHSR (0.53) ALDH1A1SMN1; SMN2GHSRKMT2AMEN1
SCHEMBL2469030 0.84 MEN1 (0.49) ALDH1A1SMN1; SMN2GHSRCHRM5CHRM3
SCHEMBL2472097 0.83 CHRM5 (0.59) ALDH1A1SMN1; SMN2OPRD1KCNH2CHRM5
SCHEMBL2469559 0.83 MEN1 (0.55) ALDH1A1SMN1; SMN2GHSRCHRM5CHRM3
SCHEMBL2702458 0.81 KMT2A (0.62) ALDH1A1SMN1; SMN2KMT2AMEN1GPR183

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-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-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 ALDH1A1 3941/4885SMN1; SMN2 4032/4885OPRD1 2240/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885SMN1; SMN2 4032/4885OPRD1 2240/4885

“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.