SCHEMBL4374191

SCHEMBL4374191

Oc1ccc2c(c1)C(O)CC(c1cc(F)ccc1F)O2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
KDM1B Q8NB78 1/20 0.39
ESR1 P03372 12/20 0.35
ESR2 Q92731 12/20 0.35
DPP4 P27487 1/20 0.34
CYP3A4 P08684 1/20 0.33
AR P10275 1/20 0.33
RORC P51449 1/20 0.32

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
SCHEMBL4364042 0.89 HTR2A (0.38) ESR1ESR2DPP4RORC
SCHEMBL4361580 0.85 AR (0.41) ESR1ESR2DPP4CYP3A4AR
SCHEMBL4370031 0.83 ESR2 (0.44) ESR1ESR2AR
SCHEMBL4371918 0.81 ESR2 (0.39) ESR1ESR2AR
SCHEMBL4366178 0.80 ESR1 (0.41) ESR1ESR2CYP3A4AR
SCHEMBL4373725 0.80 AR (0.37) ESR1ESR2DPP4CYP3A4AR
SCHEMBL4360575 0.80 ESR1 (0.38) ESR1ESR2DPP4CYP3A4AR
SCHEMBL4364017 0.78 ESR1 (0.40) ESR1ESR2DPP4
SCHEMBL4364359 0.77 ESR2 (0.53) ESR1ESR2DPP4CYP3A4AR
SCHEMBL4366023 0.76 ESR2 (0.59) KDM1AKDM1BESR1ESR2DPP4

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
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
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 KDM1A 1925/4885KDM1B 1204/4885ESR1 3216/4885
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU KDM1A 2729/4885KDM1B 2991/4885ESR1 1827/4885

“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.