SCHEMBL2493320

SCHEMBL2493320

CCN(C(=O)CC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.45
RORC P51449 3/20 0.45
OPRK1 P41145 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CCR5 P51681 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
OPRM1 P35372 1/20 0.40
KDM1A O60341 1/20 0.40
MCHR1 Q99705 1/20 0.40
CYP2C19 P33261 1/20 0.40
AGTR2 P50052 1/20 0.39
TACR1 P25103 1/20 0.39

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
SCHEMBL4044328 0.93 OPRD1 (0.46) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL2703388 0.91 OPRD1 (0.43) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL2473561 0.90 OPRD1 (0.47) OPRD1RORCOPRK1MEN1KMT2A
SCHEMBL2702492 0.89 OPRD1 (0.46) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL2468009 0.87 OPRD1 (0.42) OPRD1RORCOPRK1MEN1KMT2A
SCHEMBL2474017 0.84 HPGD (0.47) MEN1KMT2ACYP2C19TACR1
SCHEMBL2466735 0.81 OPRD1 (0.47) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL2468598 0.79 OPRD1 (0.46) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL2702942 0.79 SCN5A (0.46) OPRD1OPRK1KMT2A
SCHEMBL14327406 0.78 MEN1 (0.53) OPRD1OPRK1MEN1KMT2ANPSR1

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 OPRD1 2240/4885RORC 2810/4885OPRK1 513/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 OPRD1 2240/4885RORC 2810/4885OPRK1 513/4885

“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.