SCHEMBL2468628

SCHEMBL2468628

COc1ccc(CCC(=O)N2CCC(Cc3ccccc3)(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 1/20 0.47
KCNH2 Q12809 1/20 0.47
NPC1 O15118 1/20 0.47
MC4R P32245 1/20 0.46
YAP1 P46937 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPK14 Q16539 1/20 0.44
FKBP1A P62942 1/20 0.44
NR3C2 P08235 1/20 0.44
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 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
SCHEMBL2468456 0.93 FFAR1 (0.49) MEN1KMT2AALDH1A1NPC1MC4R
SCHEMBL2468677 0.91 FFAR1 (0.48) MEN1KMT2ANPC1MC4RYAP1
SCHEMBL10254249 0.90 NR3C2 (0.45) MEN1KMT2ANPC1MC4RYAP1
SCHEMBL2472762 0.90 FFAR1 (0.46) MEN1KMT2ANPC1NR3C2FFAR1
SCHEMBL14327404 0.89 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MC4RLMNA
SCHEMBL2471521 0.86 PLA2G1B (0.44) MEN1KMT2ANPC1MC4RLMNA
SCHEMBL2471167 0.86 ALDH1A1 (0.52) MEN1KMT2AALDH1A1NPC1YAP1
SCHEMBL2471243 0.85 PLAAT3 (0.46) MEN1KMT2AALDH1A1NPC1MC4R
SCHEMBL2473017 0.84 MC4R (0.45) MEN1KMT2ANPC1MC4RLMNA
SCHEMBL2468457 0.82 LMNA (0.56) MEN1KMT2AALDH1A1MC4RPOLB

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 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 MEN1 3501/4885KMT2A 957/4885ALDH1A1 3941/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 MEN1 3501/4885KMT2A 957/4885ALDH1A1 3941/4885

“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.