SCHEMBL2467978

SCHEMBL2467978

O=C(CCc1ccccc1)N1CCC(Cc2ccccc2)(C(=O)NCc2ccccc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.47
NPC1 O15118 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
FFAR1 O14842 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.45
FKBP1A P62942 1/20 0.44
RAB9A P51151 1/20 0.44
NAAA Q02083 1/20 0.44
LMNA P02545 1/20 0.42
KDM1A O60341 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
SCHEMBL2469081 0.88 NPC1 (0.55) METAP2NPC1TDP1EPHX2ALDH1A1
SCHEMBL2468496 0.87 ALDH1A1 (0.55) METAP2NPC1TDP1EPHX2ALDH1A1
SCHEMBL2473929 0.87 ALDH1A1 (0.45) METAP2EPHX2ALDH1A1MEN1KMT2A
SCHEMBL2472152 0.83 NPC1 (0.55) NPC1TDP1EPHX2ALDH1A1MEN1
SCHEMBL2471130 0.83 GFER (0.55) NPC1TDP1EPHX2ALDH1A1MEN1
SCHEMBL2471161 0.83 ALDH1A1 (0.55) NPC1TDP1EPHX2ALDH1A1MEN1
SCHEMBL2473017 0.83 MC4R (0.45) NPC1TDP1MEN1KMT2AFFAR1
SCHEMBL12195011 0.82 NPC1 (0.48) NPC1TDP1ALDH1A1MEN1KMT2A
SCHEMBL2469442 0.82 PLAAT3 (0.55) NPC1TDP1EPHX2ALDH1A1MEN1
SCHEMBL2471926 0.81 NPC1 (0.52) NPC1TDP1EPHX2ALDH1A1MEN1

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 14 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
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 METAP2 4807/4885NPC1 989/4885TDP1 2203/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 METAP2 4807/4885NPC1 989/4885TDP1 2203/4885

“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.