SCHEMBL4366072

SCHEMBL4366072

Oc1ccc2c(c1)OCC(c1cccc(F)c1)C2

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.68
ESR2 Q92731 1/20 0.68
TTR P02766 1/20 0.68
ALOX15 P16050 5/20 0.52
ALOX12 P18054 4/20 0.52
ALOX15B O15296 3/20 0.52
CYP19A1 P11511 2/20 0.41
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOB P27338 1/20 0.38
KCNH2 Q12809 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
SCHEMBL3355537 0.89 ESR1 (0.75) ESR1ESR2TTRALOX15ALOX12
SCHEMBL19236383 0.89 ESR1 (0.75) ESR1ESR2TTRALOX15ALOX12
SCHEMBL6274762 0.85 ALOX15 (0.71) ESR1ESR2TTRALOX15ALOX12
SCHEMBL4360255 0.84 ESR2 (0.82) ESR1ESR2TTRALOX15ALOX12
SCHEMBL30459494 0.84 ESR2 (0.82) ESR1ESR2TTRALOX15ALOX12
SCHEMBL30720187 0.84 ESR2 (0.82) ESR1ESR2TTRALOX15ALOX12
SCHEMBL11164451 0.83 ESR2 (0.80) ESR1ESR2TTRALOX15ALOX12
SCHEMBL11164453 0.83 ESR2 (0.80) ESR1ESR2TTRALOX15ALOX12
SCHEMBL6204486 0.83 CYP19A1 (0.51) ESR1ESR2TTRALOX15ALOX12
Aus-131 SCHEMBL677723 0.81 ESR2 (1.00) ESR1ESR2TTRALOX15ALOX12

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
CN-100457752-C Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORP (FI) 2009-02-04 CN disclosed
US-7482340-B2 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2009-01-27 US disclosed
US-7425568-B2 Compounds, which are potent inhibitors of Na+ /Ca2+ exchange mechanism and are useful in the treatment of arrhythmias ORION CORPORATION (FI) 2008-09-16 US disclosed
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2006-10-26 US disclosed
CN-1281597-C New compounds, which are potent inhibitors of Na<+>/Ca<2+> exchange mechanism and are useful in the treatment of arrhythmias ORION CORP (FI) 2006-10-25 CN disclosed
EP-1412343-B1 COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORP (FI) 2006-08-30 EP disclosed
CN-1745078-A Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORP (FI) 2006-03-08 CN disclosed
EP-1583759-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2005-10-12 EP disclosed
US-20040235905-A1 Compounds, which are potent inhibitors of na+ / ca2+ exchange mechanism and are useful in the treatment of arrhythmias ORION CORPORATION (FI) 2004-11-25 US disclosed
CN-1525966-A New compounds, which are potent inhibitors of Na<+>/Ca<2+> exchange mechanism and are useful in the treatment of arrhythmias 2004-09-01 CN disclosed
WO-2004063191-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2004-07-29 WO disclosed
EP-1412343-A1 NEW COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORPORATION (FI) 2004-04-28 EP disclosed
WO-2003006452-A1 NEW COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORPORATION (FI) 2003-01-23 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-20040235905-A1 Compounds, which are potent inhibitors of na+ / ca2+ exchange mechanism and are useful in the treatment of arrhythmias CACNA1E, KCNN4, RYR2 ESR1 3216/4885ESR2 1296/4885TTR 2808/4885
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU ESR1 1827/4885ESR2 2281/4885TTR 3349/4885

“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.