SCHEMBL2472775

SCHEMBL2472775

CC=CC(=O)N1CCC(C(=O)NCc2ccc(OC)cc2OC)(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.48
▸ CHRM5 P08912 1/20 0.48
▸ CHRM3 P20309 1/20 0.48
▸ OPRD1 P41143 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ GAA P10253 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ TET3 O43151 1/20 0.43
▸ FBXL19 Q6PCT2 1/20 0.43
▸ CXXC5 Q7LFL8 1/20 0.43
▸ TET1 Q8NFU7 1/20 0.43

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
SCHEMBL2472772 1.00 KMT2A (0.48) KMT2ACHRM5CHRM3OPRD1KCNH2
SCHEMBL2468358 0.91 GRIN2B (0.48) KMT2ACHRM5CHRM3OPRD1KCNH2
SCHEMBL2468360 0.91 GRIN2B (0.48) KMT2ACHRM5CHRM3OPRD1KCNH2
SCHEMBL2468363 0.87 CHRM5 (0.58) KMT2ACHRM5CHRM3OPRD1KCNH2
SCHEMBL2468362 0.87 CHRM5 (0.58) KMT2ACHRM5CHRM3OPRD1KCNH2
SCHEMBL14312549 0.86 ALDH1A1 (0.44) KMT2ATAS1R3TAS1R1ALDH1A1GAA
SCHEMBL2469507 0.85 USP2 (0.53) KMT2ACHRM5CHRM3OPRD1KCNH2
SCHEMBL2472072 0.84 ALDH1A1 (0.48) KMT2ACHRM5CHRM3OPRD1KCNH2
SCHEMBL2470804 0.84 TSHR (0.53) KMT2ACHRM5CHRM3OPRD1KCNH2
SCHEMBL2860469 0.82 ALDH1A1 (0.56) KMT2ACHRM5CHRM3TAS1R3TAS1R1

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 KMT2A 957/4885CHRM5 676/4885CHRM3 1015/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 KMT2A 957/4885CHRM5 676/4885CHRM3 1015/4885

“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.

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