SCHEMBL2472097

SCHEMBL2472097

CCCC(=O)N1CCC(C(=O)NCc2ccc(OC)cc2)(c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.59
CHRM3 P20309 3/20 0.59
KCNH2 Q12809 2/20 0.58
OPRD1 P41143 1/20 0.58
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
OPRL1 P41146 2/20 0.50
NPY1R P25929 1/20 0.49
OPRM1 P35372 1/20 0.49
KMT2A Q03164 2/20 0.48
CHRM1 P11229 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MC4R P32245 1/20 0.46
MC5R P33032 1/20 0.46
MC3R P41968 1/20 0.46
MC1R Q01726 1/20 0.46

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
SCHEMBL2472256 0.91 ALDH1A1 (0.60) CHRM5CHRM3KCNH2OPRD1ALDH1A1
SCHEMBL13593900 0.90 CHRM5 (0.74) CHRM5CHRM3KCNH2OPRD1ALDH1A1
SCHEMBL2467662 0.86 KCNH2 (0.54) CHRM5CHRM3KCNH2OPRD1ALDH1A1
SCHEMBL2472072 0.86 ALDH1A1 (0.48) CHRM5CHRM3KCNH2OPRD1ALDH1A1
SCHEMBL2474022 0.85 CHRM5 (0.61) CHRM5CHRM3KCNH2OPRD1ALDH1A1
SCHEMBL2467204 0.85 KCNH2 (0.56) CHRM5CHRM3KCNH2OPRD1ALDH1A1
SCHEMBL14312484 0.85 ALDH1A1 (0.45) CHRM5CHRM3KCNH2OPRD1ALDH1A1
SCHEMBL2469566 0.84 GRIN2B (0.48) CHRM5CHRM3ALDH1A1KMT2ANPC1
SCHEMBL2469242 0.84 CHRM5 (0.60) CHRM5CHRM3KCNH2OPRD1ALDH1A1
SCHEMBL14312616 0.84 CHRM5 (0.60) CHRM5CHRM3KCNH2OPRD1ALDH1A1

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 13 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-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 CHRM5 676/4885CHRM3 1015/4885KCNH2 2/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 CHRM5 676/4885CHRM3 1015/4885KCNH2 2/4885

“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.