SCHEMBL2467792

SCHEMBL2467792

O=C(O)N1CCC(C(=O)OCc2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
RAB9A P51151 1/20 0.58
OPRM1 P35372 6/20 0.56
OPRD1 P41143 5/20 0.56
OPRK1 P41145 5/20 0.56
SLC22A1 O15245 1/20 0.56
SLC6A4 P31645 1/20 0.56
ADRA1A P35348 1/20 0.56
KCNH2 Q12809 1/20 0.56
KCNA3 P22001 1/20 0.53
KDM4E B2RXH2 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48

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
SCHEMBL3563828 0.89 MEN1 (0.56) MEN1KMT2ARAB9AOPRM1OPRD1
SCHEMBL27915147 0.87 OPRM1 (0.55) MEN1KMT2ARAB9AOPRM1OPRD1
SCHEMBL13411094 0.86 OPRM1 (0.75) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL2789658 0.85 KDM4E (0.61) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6161492 0.84 TSHR (0.56) MEN1KMT2ARAB9AOPRM1OPRD1
SCHEMBL13993297 0.82 DDB1 (0.46) MEN1KMT2ARAB9ANPSR1
SCHEMBL3558511 0.82 ALDH1A1 (0.46) MEN1KMT2ARAB9ANPSR1
SCHEMBL2467789 0.81 KMT2A (0.58) MEN1KMT2ARAB9AOPRD1OPRK1
SCHEMBL13993260 0.80 SMN1; SMN2 (0.47) MEN1KMT2ARAB9AOPRD1OPRK1
SCHEMBL6161497 0.79 TSHR (0.51) MEN1KMT2ARAB9AOPRM1OPRD1

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 17 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
CN-102186829-A Bridged tetrahydronaphthalene derivatives ACTELION PHARMACEUTICALS LTD 2011-09-14 CN disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 EP disclosed
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 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
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US disclosed
EP-1670470-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-06-21 EP 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
WO-2005030209-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-04-07 WO disclosed
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
US-20040110793-A1 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 WO 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 (4 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 MEN1 3501/4885KMT2A 957/4885RAB9A 1780/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 MEN1 3501/4885KMT2A 957/4885RAB9A 1780/4885
US-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 MEN1 1845/4885KMT2A 3265/4885RAB9A 2354/4885
US-20040110793-A1 Heterocyclo inhibitors of potassium channel function KCNH2, KCNN1, KCNJ2 MEN1 2867/4885KMT2A 1147/4885RAB9A 1626/4885

“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.