SCHEMBL2465827

SCHEMBL2465827

CC(c1nc2ccccc2[nH]1)C1(c2ccccc2)CCN(C(=O)CCc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
USP7 Q93009 7/20 0.43
USP19 O94966 1/20 0.43
MAPK1 P28482 1/20 0.42
USP2 O75604 1/20 0.42
FKBP1A P62942 1/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL2493036 0.83 GRIN2B (0.56) KMT2ANPC1TDP1MAPK1
SCHEMBL2468454 0.70 HTT (0.47) KMT2AMAPK1USP2POLBLMNA
SCHEMBL7381627 0.70 NPC1 (0.65) KMT2ANPC1TDP1FKBP1APOLB
SCHEMBL23718995 0.69 NPC1 (0.60) NPC1TDP1FKBP1APOLBL3MBTL1
SCHEMBL2472654 0.69 TSHR (0.48) KMT2ANPC1TDP1FKBP1APOLB
SCHEMBL20669409 0.69 NPC1 (0.63) KMT2ANPC1TDP1FKBP1APOLB
SCHEMBL2700497 0.69 NPC1 (0.63) KMT2ANPC1TDP1FKBP1APOLB
SCHEMBL10130744 0.68 NPC1 (0.67) KMT2ANPC1TDP1FKBP1APOLB
SCHEMBL23719007 0.68 NPC1 (0.58) KMT2ANPC1TDP1FKBP1APOLB
SCHEMBL2471062 0.68 TSHR (0.53) NPC1TDP1FKBP1APOLBL3MBTL1

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 8 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-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 957/4885NPC1 989/4885TDP1 2203/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 KMT2A 957/4885NPC1 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.