SCHEMBL4359983

SCHEMBL4359983

Oc1ccc2c(c1)OCC(c1ccccc1)O2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.56
AR P10275 1/20 0.56
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
PSMB5 P28074 1/20 0.56
LTA4H P09960 3/20 0.55
CYP3A4 P08684 2/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
MEN1 O00255 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ESR2 Q92731 4/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47

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
SCHEMBL2478986 0.81 LTA4H (0.61) LTA4H
SCHEMBL27850099 0.76 LTA4H (0.56) LTA4H
SCHEMBL2269003 0.74 CYP19A1 (0.47) CYP19A1ARMAOAMAOBPSMB5
SCHEMBL6013994 0.74 CYP3A4 (0.53) MAOAMAOBCYP3A4ESR2DRD2
SCHEMBL1934690 0.73 ESR1 (0.82) CYP19A1ARMAOAMAOBPSMB5
SCHEMBL1933740 0.73 ESR1 (0.82) CYP19A1ARMAOAMAOBPSMB5
SCHEMBL1932818 0.73 ESR1 (0.82) CYP19A1ARMAOAMAOBPSMB5
SCHEMBL4361595 0.73 ESR2 (0.82) CYP19A1ARMAOAMAOBPSMB5
SCHEMBL11765525 0.73 CHRNB4 (0.52) MAOAMAOBCYP3A4ESR2DRD2
SCHEMBL21133536 0.72 CYP3A4 (0.54) LTA4HCYP3A4CYP2D6MAPTCYP2C9

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482340-B2 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2009-01-27 US 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-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
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
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
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 CYP19A1 2036/4885AR 965/4885MAOA 2780/4885
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU CYP19A1 2119/4885AR 3262/4885MAOA 1501/4885

“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.