SCHEMBL2468451

SCHEMBL2468451

CC(NC(=O)CC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 2/20 0.44
CCR5 P51681 1/20 0.44
KDM1A O60341 1/20 0.43
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
CCR1 P32246 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
SCHEMBL13688323 0.93 CYP3A4 (0.50) HDAC3HDAC1HDAC2HDAC6ITGA4
SCHEMBL12195123 0.88 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6ITGA4
SCHEMBL2472654 0.82 TSHR (0.48) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL2469454 0.82 CA1 (0.53) HDAC3HDAC1HDAC2HDAC6OPRD1
SCHEMBL14327421 0.82 OPRM1 (0.49) MEN1KMT2ANPC1
SCHEMBL14327406 0.81 MEN1 (0.53) HDAC3HDAC1HDAC2HDAC6OPRD1
SCHEMBL2468671 0.81 MEN1 (0.56) HDAC3HDAC1HDAC2HDAC6OPRD1
SCHEMBL2496581 0.80 MEN1 (0.47) HDAC3HDAC1HDAC2HDAC6OPRD1
SCHEMBL2467954 0.79 CCR5 (0.44) HDAC3HDAC1HDAC2HDAC6OPRD1
SCHEMBL13059778 0.79 MEN1 (0.56) HDAC3HDAC1HDAC2HDAC6OPRD1

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-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 HDAC3 172/4885HDAC1 297/4885HDAC2 420/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 HDAC3 172/4885HDAC1 297/4885HDAC2 420/4885

“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.