SCHEMBL2467954

SCHEMBL2467954

Cc1cc(NC(=O)CC2(c3ccccc3)CCN(C(=O)OCc3ccccc3)CC2)on1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MCHR1 Q99705 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 2/20 0.40
ENPP2 Q13822 2/20 0.40
ATXN2 Q99700 2/20 0.40
NOS2 P35228 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL2471233 0.87 PKM (0.47) CCR5HDAC3HDAC1HDAC2HDAC6
SCHEMBL2471634 0.83 MEN1 (0.46) CCR5HDAC3HDAC1HDAC2HDAC6
SCHEMBL2470359 0.82 HDAC3 (0.45) CCR5HDAC3HDAC1HDAC2HDAC6
SCHEMBL2469375 0.81 HDAC3 (0.46) CCR5HDAC3HDAC1HDAC2HDAC6
SCHEMBL2468451 0.79 HDAC3 (0.46) CCR5HDAC3HDAC1HDAC2HDAC6
SCHEMBL13183017 0.78 ALDH1A1 (0.48) HDAC1SMN1; SMN2ALDH1A1OPRM1TACR1
SCHEMBL2469385 0.78 HDAC3 (0.46) CCR5HDAC3HDAC1HDAC2HDAC6
SCHEMBL2466733 0.78 OPRD1 (0.45) CCR5HDAC3HDAC1HDAC2HDAC6
SCHEMBL2472273 0.78 GRIN2B (0.58) CCR5HDAC3HDAC1HDAC2HDAC6
SCHEMBL2471552 0.78 GRIN2B (0.58) 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 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 CCR5 3854/4885HDAC3 172/4885HDAC1 297/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 CCR5 3854/4885HDAC3 172/4885HDAC1 297/4885

“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.