SCHEMBL2702113

SCHEMBL2702113

NC(=O)C1(c2ccc(F)cc2F)CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.45
CNR1 P21554 4/20 0.44
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
P2RX7 Q99572 1/20 0.38
HDAC4 P56524 1/20 0.37
BACE1 P56817 1/20 0.36

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
SCHEMBL17025863 0.88 HDAC3 (0.46) OPRL1CNR1HDAC3HDAC1HDAC2
SCHEMBL28688379 0.86 CNR1 (0.45) OPRL1CNR1HCAR3HCAR2HDAC3
SCHEMBL18742538 0.86 HDAC4 (0.46) OPRL1CNR1HCAR3HCAR2HDAC3
SCHEMBL2701756 0.78 ALOX5 (0.49) OPRL1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2702973 0.76 ALOX5 (0.50) OPRL1HCAR2HDAC3HDAC1HDAC2
SCHEMBL15934495 0.76 BACE1 (0.40) OPRL1CNR1HCAR3HCAR2HDAC3
SCHEMBL332275 0.74 ALOX5 (0.47) OPRL1HCAR3HCAR2HDAC3HDAC1
SCHEMBL2793934 0.74 APP (0.48) CNR1HCAR3HCAR2HDAC3HDAC1
SCHEMBL333238 0.74 OPRL1 (0.36) OPRL1HDAC3HDAC1HDAC2HDAC6
SCHEMBL18742469 0.73 HDAC4 (0.46) OPRL1HDAC4

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 9 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-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
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 US disclosed
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP 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 (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 OPRL1 1904/4885CNR1 1175/4885HCAR3 792/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 OPRL1 1904/4885CNR1 1175/4885HCAR3 792/4885

“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.